4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
type: datablock
datablock name: 2HJ
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has pdbx chem comp audit category: pdbx chem comp auditCategory
has pdbx chem comp descriptor category: pdbx chem comp descriptorCategory
has pdbx chem comp identifier category: pdbx chem comp identifierCategory

2HJ
type: chem comp
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
chem comp.id: 2HJ
chem comp.formula: C23 H25 N3 O3 S
chem comp.formula weight: 423.528
chem comp.name: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
chem comp.pdbx ambiguous flag: N
chem comp.pdbx formal charge: 0
chem comp.pdbx ideal coordinates details: Corina
chem comp.pdbx ideal coordinates missing flag: N
chem comp.pdbx initial date: 2013-10-22
chem comp.pdbx model coordinates db code: 4N9D
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2014-02-14
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: 2HJ
chem comp.type: non-polymer

C1,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C1
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.958
chem comp atom.model cartn y: -0.227
chem comp atom.model cartn z: 50.836
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C1
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.139
chem comp atom.pdbx model cartn y ideal: 3.472
chem comp atom.pdbx model cartn z ideal: 0.961
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C2,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C2
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.416
chem comp atom.model cartn y: -1.628
chem comp atom.model cartn z: 50.413
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C2
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.803
chem comp atom.pdbx model cartn y ideal: 2.354
chem comp atom.pdbx model cartn z ideal: 0.155
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C3,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C3
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.607
chem comp atom.model cartn y: -2.501
chem comp atom.model cartn z: 51.656
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C3
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -8.058
chem comp atom.pdbx model cartn y ideal: 1.875
chem comp atom.pdbx model cartn z ideal: 0.887
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C4,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C4
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.751
chem comp atom.model cartn y: -1.535
chem comp atom.model cartn z: 49.673
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C4
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.189
chem comp atom.pdbx model cartn y ideal: 2.882
chem comp atom.pdbx model cartn z ideal: -1.228
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C5,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C5
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.373
chem comp atom.model cartn y: -2.212
chem comp atom.model cartn z: 49.482
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C5
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.840
chem comp atom.pdbx model cartn y ideal: 1.204
chem comp atom.pdbx model cartn z ideal: 0.003
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C6,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C6
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.381
chem comp atom.model cartn y: -1.824
chem comp atom.model cartn z: 48.153
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C6
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.445
chem comp atom.pdbx model cartn y ideal: 0.796
chem comp atom.pdbx model cartn z ideal: -1.257
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C7,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C7
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.444
chem comp atom.model cartn y: -2.320
chem comp atom.model cartn z: 47.269
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C7
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.558
chem comp atom.pdbx model cartn y ideal: -0.256
chem comp atom.pdbx model cartn z ideal: -1.396
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C8,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C8
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.476
chem comp atom.model cartn y: -3.212
chem comp atom.model cartn z: 47.698
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C8
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.066
chem comp atom.pdbx model cartn y ideal: -0.898
chem comp atom.pdbx model cartn z ideal: -0.275
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C9,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C9
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.463
chem comp atom.model cartn y: -3.606
chem comp atom.model cartn z: 49.032
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C9
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.462
chem comp atom.pdbx model cartn y ideal: -0.489
chem comp atom.pdbx model cartn z ideal: 0.985
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C10,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.406
chem comp atom.model cartn y: -3.109
chem comp atom.model cartn z: 49.921
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C10
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.349
chem comp atom.pdbx model cartn y ideal: 0.561
chem comp atom.pdbx model cartn z ideal: 1.124
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

S11,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: S11
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: S11
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.290
chem comp atom.model cartn y: -3.835
chem comp atom.model cartn z: 46.535
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: S11
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.937
chem comp atom.pdbx model cartn y ideal: -2.239
chem comp atom.pdbx model cartn z ideal: -0.452
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: S

O12,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: O12
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: O12
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.749
chem comp atom.model cartn y: -2.711
chem comp atom.model cartn z: 45.844
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O12
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.046
chem comp atom.pdbx model cartn y ideal: -3.015
chem comp atom.pdbx model cartn z ideal: 0.733
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O13,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: O13
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: O13
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.491
chem comp atom.model cartn y: -4.772
chem comp atom.model cartn z: 47.263
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O13
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.147
chem comp atom.pdbx model cartn y ideal: -2.772
chem comp atom.pdbx model cartn z ideal: -1.752
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

N14,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: N14
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: N14
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.197
chem comp atom.model cartn y: -4.746
chem comp atom.model cartn z: 45.488
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N14
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.410
chem comp atom.pdbx model cartn y ideal: -1.597
chem comp atom.pdbx model cartn z ideal: -0.451
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C15,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C15
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C15
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.989
chem comp atom.model cartn y: -5.874
chem comp atom.model cartn z: 46.013
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C15
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.895
chem comp atom.pdbx model cartn y ideal: -0.934
chem comp atom.pdbx model cartn z ideal: 0.749
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C16,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C16
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C16
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.115
chem comp atom.model cartn y: -6.811
chem comp atom.model cartn z: 44.843
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C16
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.598
chem comp atom.pdbx model cartn y ideal: -0.772
chem comp atom.pdbx model cartn z ideal: 0.632
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C17,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C17
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C17
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.008
chem comp atom.model cartn y: -7.575
chem comp atom.model cartn z: 44.509
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C17
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.124
chem comp atom.pdbx model cartn y ideal: 0.371
chem comp atom.pdbx model cartn z ideal: 0.055
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C18,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C18
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C18
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.079
chem comp atom.model cartn y: -8.415
chem comp atom.model cartn z: 43.425
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C18
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.490
chem comp atom.pdbx model cartn y ideal: 0.526
chem comp atom.pdbx model cartn z ideal: -0.055
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C19,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C19
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C19
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.257
chem comp atom.model cartn y: -8.529
chem comp atom.model cartn z: 42.677
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C19
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.343
chem comp atom.pdbx model cartn y ideal: -0.474
chem comp atom.pdbx model cartn z ideal: 0.417
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C20,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C20
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C20
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.358
chem comp atom.model cartn y: -7.715
chem comp atom.model cartn z: 42.992
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C20
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.806
chem comp atom.pdbx model cartn y ideal: -1.624
chem comp atom.pdbx model cartn z ideal: 0.998
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C21,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C21
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C21
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.281
chem comp atom.model cartn y: -6.874
chem comp atom.model cartn z: 44.089
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C21
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.438
chem comp atom.pdbx model cartn y ideal: -1.764
chem comp atom.pdbx model cartn z ideal: 1.107
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C22,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C22
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C22
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.196
chem comp atom.model cartn y: -9.372
chem comp atom.model cartn z: 41.470
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C22
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.808
chem comp atom.pdbx model cartn y ideal: -0.317
chem comp atom.pdbx model cartn z ideal: 0.296
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O23,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: O23
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: O23
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.421
chem comp atom.model cartn y: -10.307
chem comp atom.model cartn z: 41.356
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O23
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.548
chem comp atom.pdbx model cartn y ideal: -1.191
chem comp atom.pdbx model cartn z ideal: 0.704
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

N24,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: N24
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: N24
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.952
chem comp atom.model cartn y: -8.902
chem comp atom.model cartn z: 40.448
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N24
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.323
chem comp atom.pdbx model cartn y ideal: 0.795
chem comp atom.pdbx model cartn z ideal: -0.265
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C25,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C25
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C25
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.984
chem comp atom.model cartn y: -9.283
chem comp atom.model cartn z: 39.104
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C25
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.708
chem comp atom.pdbx model cartn y ideal: 0.988
chem comp atom.pdbx model cartn z ideal: -0.291
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C26,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C26
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C26
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.957
chem comp atom.model cartn y: -8.767
chem comp atom.model cartn z: 38.256
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C26
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.570
chem comp atom.pdbx model cartn y ideal: -0.095
chem comp atom.pdbx model cartn z ideal: -0.447
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C27,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C27
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C27
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.895
chem comp atom.model cartn y: -9.059
chem comp atom.model cartn z: 36.902
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C27
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 8.934
chem comp atom.pdbx model cartn y ideal: 0.147
chem comp atom.pdbx model cartn z ideal: -0.467
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C28,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C28
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C28
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.830
chem comp atom.model cartn y: -9.808
chem comp atom.model cartn z: 36.424
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C28
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 9.392
chem comp atom.pdbx model cartn y ideal: 1.444
chem comp atom.pdbx model cartn z ideal: -0.331
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N29,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: N29
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: N29
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.890
chem comp atom.model cartn y: -10.253
chem comp atom.model cartn z: 37.245
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N29
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 8.549
chem comp atom.pdbx model cartn y ideal: 2.448
chem comp atom.pdbx model cartn z ideal: -0.184
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C30,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: C30
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: C30
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.918
chem comp atom.model cartn y: -9.987
chem comp atom.model cartn z: 38.540
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C30
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.244
chem comp atom.pdbx model cartn y ideal: 2.263
chem comp atom.pdbx model cartn z ideal: -0.166
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

H1,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.704
chem comp atom.model cartn y: 0.214
chem comp atom.model cartn z: 51.514
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H1
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.864
chem comp atom.pdbx model cartn y ideal: 3.096
chem comp atom.pdbx model cartn z ideal: 1.946
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.851
chem comp atom.model cartn y: 0.409
chem comp atom.model cartn z: 49.945
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H2
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.244
chem comp atom.pdbx model cartn y ideal: 3.813
chem comp atom.pdbx model cartn z ideal: 0.440
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.990
chem comp atom.model cartn y: -0.298
chem comp atom.model cartn z: 51.353
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H3
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.835
chem comp atom.pdbx model cartn y ideal: 4.304
chem comp atom.pdbx model cartn z ideal: 1.071
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.369
chem comp atom.model cartn y: -2.049
chem comp atom.model cartn z: 52.308
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H4
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -8.754
chem comp atom.pdbx model cartn y ideal: 2.706
chem comp atom.pdbx model cartn z ideal: 0.997
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.655
chem comp atom.model cartn y: -2.575
chem comp atom.model cartn z: 52.201
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H5
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -8.531
chem comp atom.pdbx model cartn y ideal: 1.078
chem comp atom.pdbx model cartn z ideal: 0.313
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.935
chem comp atom.model cartn y: -3.506
chem comp atom.model cartn z: 51.351
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H6
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.783
chem comp atom.pdbx model cartn y ideal: 1.498
chem comp atom.pdbx model cartn z ideal: 1.872
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.514
chem comp atom.model cartn y: -1.112
chem comp atom.model cartn z: 50.343
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H7
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.294
chem comp atom.pdbx model cartn y ideal: 3.223
chem comp atom.pdbx model cartn z ideal: -1.749
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.063
chem comp atom.model cartn y: -2.540
chem comp atom.model cartn z: 49.352
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H8
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.662
chem comp atom.pdbx model cartn y ideal: 2.085
chem comp atom.pdbx model cartn z ideal: -1.802
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.637
chem comp atom.model cartn y: -0.887
chem comp atom.model cartn z: 48.792
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H9
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.885
chem comp atom.pdbx model cartn y ideal: 3.713
chem comp atom.pdbx model cartn z ideal: -1.118
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.128
chem comp atom.model cartn y: -1.126
chem comp atom.model cartn z: 47.804
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H10
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.828
chem comp atom.pdbx model cartn y ideal: 1.298
chem comp atom.pdbx model cartn z ideal: -2.132
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.466
chem comp atom.model cartn y: -2.010
chem comp atom.model cartn z: 46.235
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H11
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.249
chem comp atom.pdbx model cartn y ideal: -0.575
chem comp atom.pdbx model cartn z ideal: -2.380
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H12
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.714
chem comp atom.model cartn y: -4.303
chem comp atom.model cartn z: 49.378
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H12
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.078
chem comp atom.pdbx model cartn y ideal: -0.991
chem comp atom.pdbx model cartn z ideal: 1.861
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H13,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H13
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H13
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.388
chem comp atom.model cartn y: -3.420
chem comp atom.model cartn z: 50.955
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H13
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.655
chem comp atom.pdbx model cartn y ideal: 0.883
chem comp atom.pdbx model cartn z ideal: 2.109
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H14,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H14
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H14
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.838
chem comp atom.model cartn y: -4.123
chem comp atom.model cartn z: 45.039
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H14
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.857
chem comp atom.pdbx model cartn y ideal: -1.661
chem comp atom.pdbx model cartn z ideal: -1.245
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H15,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H15
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H15
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.467
chem comp atom.model cartn y: -6.362
chem comp atom.model cartn z: 46.849
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H15
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.360
chem comp atom.pdbx model cartn y ideal: 0.047
chem comp atom.pdbx model cartn z ideal: 0.850
chem comp atom.pdbx ordinal: 45
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H16,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H16
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H16
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.980
chem comp atom.model cartn y: -5.533
chem comp atom.model cartn z: 46.348
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H16
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.127
chem comp atom.pdbx model cartn y ideal: -1.538
chem comp atom.pdbx model cartn z ideal: 1.626
chem comp atom.pdbx ordinal: 46
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H17,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H17
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H17
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.102
chem comp atom.model cartn y: -7.511
chem comp atom.model cartn z: 45.093
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H17
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.463
chem comp atom.pdbx model cartn y ideal: 1.143
chem comp atom.pdbx model cartn z ideal: -0.309
chem comp atom.pdbx ordinal: 47
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H18,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H18
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H18
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.213
chem comp atom.model cartn y: -8.997
chem comp atom.model cartn z: 43.145
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H18
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.899
chem comp atom.pdbx model cartn y ideal: 1.418
chem comp atom.pdbx model cartn z ideal: -0.506
chem comp atom.pdbx ordinal: 48
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H19,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H19
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H19
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.252
chem comp atom.model cartn y: -7.745
chem comp atom.model cartn z: 42.387
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H19
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.461
chem comp atom.pdbx model cartn y ideal: -2.401
chem comp atom.pdbx model cartn z ideal: 1.365
chem comp atom.pdbx ordinal: 49
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H20,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H20
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H20
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.130
chem comp atom.model cartn y: -6.264
chem comp atom.model cartn z: 44.360
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H20
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.022
chem comp atom.pdbx model cartn y ideal: -2.653
chem comp atom.pdbx model cartn z ideal: 1.556
chem comp atom.pdbx ordinal: 50
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H21,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H21
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H21
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.585
chem comp atom.model cartn y: -8.168
chem comp atom.model cartn z: 40.694
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H21
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.733
chem comp atom.pdbx model cartn y ideal: 1.461
chem comp atom.pdbx model cartn z ideal: -0.652
chem comp atom.pdbx ordinal: 51
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H22,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H22
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H22
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.750
chem comp atom.model cartn y: -8.147
chem comp atom.model cartn z: 38.646
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H22
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.184
chem comp atom.pdbx model cartn y ideal: -1.098
chem comp atom.pdbx model cartn z ideal: -0.551
chem comp atom.pdbx ordinal: 52
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H23,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H23
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H23
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.664
chem comp atom.model cartn y: -8.709
chem comp atom.model cartn z: 36.230
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H23
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 9.632
chem comp atom.pdbx model cartn y ideal: -0.669
chem comp atom.pdbx model cartn z ideal: -0.586
chem comp atom.pdbx ordinal: 53
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H24,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H24
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H24
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.766
chem comp atom.model cartn y: -10.031
chem comp atom.model cartn z: 35.369
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H24
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 10.454
chem comp atom.pdbx model cartn y ideal: 1.639
chem comp atom.pdbx model cartn z ideal: -0.346
chem comp atom.pdbx ordinal: 54
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H25,2HJ
type: chem comp atom
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
chem comp atom.atom id: H25
chem comp atom.comp id: 2HJ
chem comp atom.alt atom id: H25
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.106
chem comp atom.model cartn y: -10.319
chem comp atom.model cartn z: 39.170
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H25
chem comp atom.pdbx component comp id: 2HJ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.586
chem comp atom.pdbx model cartn y ideal: 3.110
chem comp atom.pdbx model cartn z ideal: -0.043
chem comp atom.pdbx ordinal: 55
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

C28,C27,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: C27
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C28,N29,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: N29
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C27,C26,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: C26
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N29,C30,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: N29
chem comp bond.atom id 2: C30
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C26,C25,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C25
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C30,C25,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: C25
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C25,N24,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: N24
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N24,C22,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: N24
chem comp bond.atom id 2: C22
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O23,C22,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: O23
chem comp bond.atom id 2: C22
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C22,C19,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C19
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C19,C20,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C20
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C19,C18,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C18
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C20,C21,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C21
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C18,C17,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C17
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C21,C16,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C16
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C17,C16,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C16
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C16,C15,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C15
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N14,C15,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: N14
chem comp bond.atom id 2: C15
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N14,S11,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: N14
chem comp bond.atom id 2: S11
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O12,S11,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: O12
chem comp bond.atom id 2: S11
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

S11,O13,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: S11
chem comp bond.atom id 2: O13
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 21
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

S11,C8,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: S11
chem comp bond.atom id 2: C8
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C7,C8,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C8
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C7,C6,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C6
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C8,C9,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C9
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C6,C5,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C5
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 26
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C9,C10,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: C10
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C5,C10,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C10
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 28
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C5,C2,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C2
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C4,C2,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C2
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 30
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,C1,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C1
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 31
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,C3,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 32
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H1,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H1
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 33
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H2,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H2
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 34
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H3,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H3
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 35
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,H4,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H4
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 36
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,H5,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H5
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 37
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,H6,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H6
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 38
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C4,H7,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H7
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 39
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C4,H8,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H8
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 40
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C4,H9,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H9
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 41
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C6,H10,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H10
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 42
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C7,H11,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H11
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 43
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C9,H12,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H12
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 44
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C10,H13,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H13
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 45
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N14,H14,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: N14
chem comp bond.atom id 2: H14
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 46
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,H15,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H15
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 47
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,H16,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H16
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 48
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C17,H17,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H17
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 49
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C18,H18,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H18
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 50
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C20,H19,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H19
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 51
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,H20,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H20
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 52
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N24,H21,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: N24
chem comp bond.atom id 2: H21
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 53
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C26,H22,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: H22
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 54
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C27,H23,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: H23
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 55
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C28,H24,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: H24
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 56
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C30,H25,2HJ
type: chem comp bond
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2HJ/chem_comp_atom/,
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: H25
chem comp bond.comp id: 2HJ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 57
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

Create component,2HJ,2013-10-22
type: pdbx chem comp audit
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: 2HJ
pdbx chem comp audit.date: 2013-10-22
pdbx chem comp audit.processing site: RCSB

Initial release,2HJ,2014-02-19
type: pdbx chem comp audit
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: 2HJ
pdbx chem comp audit.date: 2014-02-19
pdbx chem comp audit.processing site: RCSB

2HJ,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 2HJ
pdbx chem comp descriptor.program: ACDLabs
pdbx chem comp descriptor.program version: 12.01
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: O=C(Nc1cccnc1)c2ccc(cc2)CNS(=O)(=O)c3ccc(cc3)C(C)(C)C

2HJ,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 2HJ
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChI
pdbx chem comp descriptor.descriptor: InChI=1S/C23H25N3O3S/c1-23(2,3)19-10-12-21(13-11-19)30(28,29)25-15-17-6-8-18(9-7-17)22(27)26-20-5-4-14-24-16-20/h4-14,16,25H,15H2,1-3H3,(H,26,27)

2HJ,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 2HJ
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChIKey
pdbx chem comp descriptor.descriptor: NGQPRVWTFNBUHA-UHFFFAOYSA-N

2HJ,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 2HJ
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: CC(C)(C)c1ccc(cc1)[S](=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3

2HJ,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 2HJ
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: CC(C)(C)c1ccc(cc1)[S](=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3

2HJ,OpenEye OEToolkits,1.7.6,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 2HJ
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.7.6
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3

2HJ,OpenEye OEToolkits,1.7.6,SMILES
type: pdbx chem comp descriptor
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 2HJ
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.7.6
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3

2HJ,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 2HJ
pdbx chem comp identifier.program: ACDLabs
pdbx chem comp identifier.program version: 12.01
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide

2HJ,OpenEye OEToolkits,1.7.6,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 2HJ
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 1.7.6
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-pyridin-3-yl-benzamide