(1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
type: datablock
datablock name: KHM
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

KHM
type: chem comp
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
chem comp.id: KHM
chem comp.formula: C20 H20 N4 O4
chem comp.formula weight: 380.397
chem comp.name: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
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: 2018-12-07
chem comp.pdbx model coordinates db code: 6NAO
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2018-12-14
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: KHM
chem comp.type: non-polymer

C10,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: -28.836
chem comp atom.model cartn y: 20.690
chem comp atom.model cartn z: -20.066
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: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.872
chem comp atom.pdbx model cartn y ideal: -2.165
chem comp atom.pdbx model cartn z ideal: 0.116
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C13,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C13
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.473
chem comp atom.model cartn y: 15.551
chem comp atom.model cartn z: -23.572
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C13
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.301
chem comp atom.pdbx model cartn y ideal: 0.943
chem comp atom.pdbx model cartn z ideal: -0.146
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C17,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C17
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: -32.121
chem comp atom.model cartn y: 18.598
chem comp atom.model cartn z: -26.350
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C17
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.505
chem comp atom.pdbx model cartn y ideal: -1.825
chem comp atom.pdbx model cartn z ideal: -1.610
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C20,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C20
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.452
chem comp atom.model cartn y: 19.965
chem comp atom.model cartn z: -26.276
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C20
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.365
chem comp atom.pdbx model cartn y ideal: 0.165
chem comp atom.pdbx model cartn z ideal: -0.533
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C21,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C21
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.717
chem comp atom.model cartn y: 18.737
chem comp atom.model cartn z: -27.159
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C21
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.742
chem comp atom.pdbx model cartn y ideal: -0.911
chem comp atom.pdbx model cartn z ideal: 0.359
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C

C22,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C22
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: -28.414
chem comp atom.model cartn y: 17.971
chem comp atom.model cartn z: -27.469
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: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.602
chem comp atom.pdbx model cartn y ideal: -0.382
chem comp atom.pdbx model cartn z ideal: 1.763
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C26,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C26
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.316
chem comp atom.model cartn y: 14.275
chem comp atom.model cartn z: -23.093
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: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.723
chem comp atom.pdbx model cartn y ideal: 2.285
chem comp atom.pdbx model cartn z ideal: -0.211
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O01,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: O01
chem comp atom.comp id: KHM
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: -28.538
chem comp atom.model cartn y: 15.446
chem comp atom.model cartn z: -19.062
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O01
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.205
chem comp atom.pdbx model cartn y ideal: 3.891
chem comp atom.pdbx model cartn z ideal: -0.135
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C02,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C02
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: -28.811
chem comp atom.model cartn y: 16.245
chem comp atom.model cartn z: -20.187
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C02
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.816
chem comp atom.pdbx model cartn y ideal: 2.596
chem comp atom.pdbx model cartn z ideal: -0.100
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C03,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C03
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: -28.868
chem comp atom.model cartn y: 17.617
chem comp atom.model cartn z: -20.080
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C03
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.743
chem comp atom.pdbx model cartn y ideal: 1.597
chem comp atom.pdbx model cartn z ideal: -0.030
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C04,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C04
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.121
chem comp atom.model cartn y: 18.404
chem comp atom.model cartn z: -21.204
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C04
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.309
chem comp atom.pdbx model cartn y ideal: 0.261
chem comp atom.pdbx model cartn z ideal: 0.005
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C05,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C05
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.235
chem comp atom.model cartn y: 19.939
chem comp atom.model cartn z: -21.172
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C05
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.300
chem comp atom.pdbx model cartn y ideal: -0.838
chem comp atom.pdbx model cartn z ideal: 0.081
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C06,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C06
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.781
chem comp atom.model cartn y: 20.608
chem comp atom.model cartn z: -22.279
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C06
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.664
chem comp atom.pdbx model cartn y ideal: -0.550
chem comp atom.pdbx model cartn z ideal: 0.118
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C07,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C07
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C13
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.925
chem comp atom.model cartn y: 21.995
chem comp atom.model cartn z: -22.280
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C07
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.582
chem comp atom.pdbx model cartn y ideal: -1.578
chem comp atom.pdbx model cartn z ideal: 0.188
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C08,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C08
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C14
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.546
chem comp atom.model cartn y: 22.729
chem comp atom.model cartn z: -21.163
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C08
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.151
chem comp atom.pdbx model cartn y ideal: -2.892
chem comp atom.pdbx model cartn z ideal: 0.222
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C09,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C09
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C15
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.009
chem comp atom.model cartn y: 22.077
chem comp atom.model cartn z: -20.060
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C09
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.799
chem comp atom.pdbx model cartn y ideal: -3.184
chem comp atom.pdbx model cartn z ideal: 0.186
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N11,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: N11
chem comp atom.comp id: KHM
chem comp atom.alt atom id: N1
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.354
chem comp atom.model cartn y: 17.784
chem comp atom.model cartn z: -22.370
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N11
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.013
chem comp atom.pdbx model cartn y ideal: -0.015
chem comp atom.pdbx model cartn z ideal: -0.030
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C12,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C12
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C16
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.308
chem comp atom.model cartn y: 16.406
chem comp atom.model cartn z: -22.470
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C12
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.107
chem comp atom.pdbx model cartn y ideal: 0.958
chem comp atom.pdbx model cartn z ideal: -0.098
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C14,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C14
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C17
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.869
chem comp atom.model cartn y: 15.970
chem comp atom.model cartn z: -24.989
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C14
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.162
chem comp atom.pdbx model cartn y ideal: -0.242
chem comp atom.pdbx model cartn z ideal: -0.137
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N15,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: N15
chem comp atom.comp id: KHM
chem comp atom.alt atom id: N2
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.363
chem comp atom.model cartn y: 17.323
chem comp atom.model cartn z: -25.222
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N15
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.501
chem comp atom.pdbx model cartn y ideal: -0.102
chem comp atom.pdbx model cartn z ideal: -0.194
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C16,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C16
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C18
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.792
chem comp atom.model cartn y: 17.828
chem comp atom.model cartn z: -26.539
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C16
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.362
chem comp atom.pdbx model cartn y ideal: -1.287
chem comp atom.pdbx model cartn z ideal: -0.185
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C

C18,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C18
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C19
chem comp atom.charge: 0
chem comp atom.model cartn x: -32.052
chem comp atom.model cartn y: 20.143
chem comp atom.model cartn z: -26.473
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C18
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.128
chem comp atom.pdbx model cartn y ideal: -0.749
chem comp atom.pdbx model cartn z ideal: -2.501
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C19,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C19
chem comp atom.comp id: KHM
chem comp atom.alt atom id: C20
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.726
chem comp atom.model cartn y: 20.802
chem comp atom.model cartn z: -26.034
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C19
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.508
chem comp atom.pdbx model cartn y ideal: -0.373
chem comp atom.pdbx model cartn z ideal: -1.958
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O23,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: O23
chem comp atom.comp id: KHM
chem comp atom.alt atom id: O2
chem comp atom.charge: 0
chem comp atom.model cartn x: -27.411
chem comp atom.model cartn y: 18.109
chem comp atom.model cartn z: -26.722
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: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.689
chem comp atom.pdbx model cartn y ideal: 0.013
chem comp atom.pdbx model cartn z ideal: 2.443
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O24,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: O24
chem comp atom.comp id: KHM
chem comp atom.alt atom id: O3
chem comp atom.charge: 0
chem comp atom.model cartn x: -28.336
chem comp atom.model cartn y: 17.238
chem comp atom.model cartn z: -28.502
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O24
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.510
chem comp atom.pdbx model cartn y ideal: -0.312
chem comp atom.pdbx model cartn z ideal: 2.276
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O25,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: O25
chem comp atom.comp id: KHM
chem comp atom.alt atom id: O4
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.810
chem comp atom.model cartn y: 15.179
chem comp atom.model cartn z: -25.870
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O25
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.668
chem comp atom.pdbx model cartn y ideal: -1.352
chem comp atom.pdbx model cartn z ideal: -0.078
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

N28,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: N28
chem comp atom.comp id: KHM
chem comp atom.alt atom id: N3
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.025
chem comp atom.model cartn y: 15.666
chem comp atom.model cartn z: -21.391
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N28
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.487
chem comp atom.pdbx model cartn y ideal: 2.271
chem comp atom.pdbx model cartn z ideal: -0.134
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N27,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: N27
chem comp atom.comp id: KHM
chem comp atom.alt atom id: N4
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.022
chem comp atom.model cartn y: 14.347
chem comp atom.model cartn z: -21.736
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N27
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.331
chem comp atom.pdbx model cartn y ideal: 3.056
chem comp atom.pdbx model cartn z ideal: -0.204
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

H101,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H101
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: -28.393
chem comp atom.model cartn y: 20.199
chem comp atom.model cartn z: -19.213
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H101
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.817
chem comp atom.pdbx model cartn y ideal: -2.394
chem comp atom.pdbx model cartn z ideal: 0.083
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H172,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H172
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: -32.829
chem comp atom.model cartn y: 18.234
chem comp atom.model cartn z: -27.110
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H172
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.146
chem comp atom.pdbx model cartn y ideal: -2.707
chem comp atom.pdbx model cartn z ideal: -1.603
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H171,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H171
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: -32.505
chem comp atom.model cartn y: 18.360
chem comp atom.model cartn z: -25.347
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H171
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.522
chem comp atom.pdbx model cartn y ideal: -2.093
chem comp atom.pdbx model cartn z ideal: -1.997
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H201,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H201
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.063
chem comp atom.model cartn y: 19.625
chem comp atom.model cartn z: -25.305
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H201
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.725
chem comp atom.pdbx model cartn y ideal: 1.047
chem comp atom.pdbx model cartn z ideal: -0.539
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H202,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H202
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: -28.701
chem comp atom.model cartn y: 20.599
chem comp atom.model cartn z: -26.769
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H202
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.348
chem comp atom.pdbx model cartn y ideal: 0.433
chem comp atom.pdbx model cartn z ideal: -0.145
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H211,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H211
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.114
chem comp atom.model cartn y: 19.104
chem comp atom.model cartn z: -28.117
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H211
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.383
chem comp atom.pdbx model cartn y ideal: -1.793
chem comp atom.pdbx model cartn z ideal: 0.366
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H261,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H261
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.406
chem comp atom.model cartn y: 13.368
chem comp atom.model cartn z: -23.672
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H261
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.748
chem comp atom.pdbx model cartn y ideal: 2.621
chem comp atom.pdbx model cartn z ideal: -0.259
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H011,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H011
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: -28.413
chem comp atom.model cartn y: 16.001
chem comp atom.model cartn z: -18.301
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H011
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.164
chem comp atom.pdbx model cartn y ideal: 4.014
chem comp atom.pdbx model cartn z ideal: -0.106
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H031,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H031
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: -28.716
chem comp atom.model cartn y: 18.087
chem comp atom.model cartn z: -19.120
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H031
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.797
chem comp atom.pdbx model cartn y ideal: 1.830
chem comp atom.pdbx model cartn z ideal: -0.002
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H061,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H061
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.094
chem comp atom.model cartn y: 20.040
chem comp atom.model cartn z: -23.143
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H061
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.001
chem comp atom.pdbx model cartn y ideal: 0.476
chem comp atom.pdbx model cartn z ideal: 0.091
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H071,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H071
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.330
chem comp atom.model cartn y: 22.497
chem comp atom.model cartn z: -23.146
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H071
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.638
chem comp atom.pdbx model cartn y ideal: -1.356
chem comp atom.pdbx model cartn z ideal: 0.216
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H081,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H081
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.668
chem comp atom.model cartn y: 23.802
chem comp atom.model cartn z: -21.152
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H081
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.873
chem comp atom.pdbx model cartn y ideal: -3.693
chem comp atom.pdbx model cartn z ideal: 0.277
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H091,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H091
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H13
chem comp atom.charge: 0
chem comp atom.model cartn x: -28.722
chem comp atom.model cartn y: 22.648
chem comp atom.model cartn z: -19.189
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H091
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.469
chem comp atom.pdbx model cartn y ideal: -4.212
chem comp atom.pdbx model cartn z ideal: 0.209
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H151,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H151
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H14
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.414
chem comp atom.model cartn y: 17.946
chem comp atom.model cartn z: -24.441
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H151
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.895
chem comp atom.pdbx model cartn y ideal: 0.783
chem comp atom.pdbx model cartn z ideal: -0.241
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H161,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H161
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H15
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.971
chem comp atom.model cartn y: 16.981
chem comp atom.model cartn z: -27.217
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H161
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.918
chem comp atom.pdbx model cartn y ideal: -2.054
chem comp atom.pdbx model cartn z ideal: 0.450
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H181,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H181
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H16
chem comp atom.charge: 0
chem comp atom.model cartn x: -32.224
chem comp atom.model cartn y: 20.404
chem comp atom.model cartn z: -27.528
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H181
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.230
chem comp atom.pdbx model cartn y ideal: -1.132
chem comp atom.pdbx model cartn z ideal: -3.517
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H182,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H182
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H17
chem comp atom.charge: 0
chem comp atom.model cartn x: -32.858
chem comp atom.model cartn y: 20.565
chem comp atom.model cartn z: -25.855
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H182
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.488
chem comp atom.pdbx model cartn y ideal: 0.133
chem comp atom.pdbx model cartn z ideal: -2.508
chem comp atom.pdbx ordinal: 45
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H192,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H192
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H18
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.619
chem comp atom.model cartn y: 21.748
chem comp atom.model cartn z: -26.586
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H192
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.952
chem comp atom.pdbx model cartn y ideal: 0.394
chem comp atom.pdbx model cartn z ideal: -2.593
chem comp atom.pdbx ordinal: 46
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H191,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H191
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H19
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.793
chem comp atom.model cartn y: 21.012
chem comp atom.model cartn z: -24.956
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H191
chem comp atom.pdbx component comp id: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.149
chem comp atom.pdbx model cartn y ideal: -1.255
chem comp atom.pdbx model cartn z ideal: -1.951
chem comp atom.pdbx ordinal: 47
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H1,KHM
type: chem comp atom
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: KHM
chem comp atom.alt atom id: H20
chem comp atom.charge: 0
chem comp atom.model cartn x: -26.685
chem comp atom.model cartn y: 17.604
chem comp atom.model cartn z: -27.069
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: KHM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.549
chem comp atom.pdbx model cartn y ideal: 0.345
chem comp atom.pdbx model cartn z ideal: 3.340
chem comp atom.pdbx ordinal: 48
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

O24,C22,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: O24
chem comp bond.atom id 2: C22
chem comp bond.comp id: KHM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C22,C21,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C21
chem comp bond.comp id: KHM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C22,O23,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: O23
chem comp bond.comp id: KHM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,C16,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C16
chem comp bond.comp id: KHM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,C20,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C20
chem comp bond.comp id: KHM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C16,C17,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C17
chem comp bond.comp id: KHM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C16,N15,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: N15
chem comp bond.comp id: KHM
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

C18,C17,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C17
chem comp bond.comp id: KHM
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

C18,C19,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C19
chem comp bond.comp id: KHM
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: sing

C20,C19,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C19
chem comp bond.comp id: KHM
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

O25,C14,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: O25
chem comp bond.atom id 2: C14
chem comp bond.comp id: KHM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

N15,C14,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: N15
chem comp bond.atom id 2: C14
chem comp bond.comp id: KHM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,C13,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: C13
chem comp bond.comp id: KHM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C13,C26,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C26
chem comp bond.comp id: KHM
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: sing

C13,C12,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C12
chem comp bond.comp id: KHM
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

C26,N27,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: N27
chem comp bond.comp id: KHM
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: doub

C12,N11,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: N11
chem comp bond.comp id: KHM
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C12,N28,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: N28
chem comp bond.comp id: KHM
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N11,C04,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: N11
chem comp bond.atom id 2: C04
chem comp bond.comp id: KHM
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C07,C06,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C07
chem comp bond.atom id 2: C06
chem comp bond.comp id: KHM
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C07,C08,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C07
chem comp bond.atom id 2: C08
chem comp bond.comp id: KHM
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 21
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C06,C05,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C06
chem comp bond.atom id 2: C05
chem comp bond.comp id: KHM
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N27,N28,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: N27
chem comp bond.atom id 2: N28
chem comp bond.comp id: KHM
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: sing

N28,C02,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: N28
chem comp bond.atom id 2: C02
chem comp bond.comp id: KHM
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

C04,C05,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C04
chem comp bond.atom id 2: C05
chem comp bond.comp id: KHM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C04,C03,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C04
chem comp bond.atom id 2: C03
chem comp bond.comp id: KHM
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: sing

C05,C10,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C05
chem comp bond.atom id 2: C10
chem comp bond.comp id: KHM
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

C08,C09,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C08
chem comp bond.atom id 2: C09
chem comp bond.comp id: KHM
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: doub

C02,C03,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C02
chem comp bond.atom id 2: C03
chem comp bond.comp id: KHM
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C02,O01,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C02
chem comp bond.atom id 2: O01
chem comp bond.comp id: KHM
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

C10,C09,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C09
chem comp bond.comp id: KHM
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 31
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C10,H101,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H101
chem comp bond.comp id: KHM
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

C17,H172,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H172
chem comp bond.comp id: KHM
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

C17,H171,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H171
chem comp bond.comp id: KHM
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

C20,H201,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H201
chem comp bond.comp id: KHM
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

C20,H202,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H202
chem comp bond.comp id: KHM
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

C21,H211,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H211
chem comp bond.comp id: KHM
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

C26,H261,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: H261
chem comp bond.comp id: KHM
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

O01,H011,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: O01
chem comp bond.atom id 2: H011
chem comp bond.comp id: KHM
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

C03,H031,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C03
chem comp bond.atom id 2: H031
chem comp bond.comp id: KHM
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

C06,H061,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C06
chem comp bond.atom id 2: H061
chem comp bond.comp id: KHM
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

C07,H071,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C07
chem comp bond.atom id 2: H071
chem comp bond.comp id: KHM
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

C08,H081,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C08
chem comp bond.atom id 2: H081
chem comp bond.comp id: KHM
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

C09,H091,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C09
chem comp bond.atom id 2: H091
chem comp bond.comp id: KHM
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

N15,H151,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: N15
chem comp bond.atom id 2: H151
chem comp bond.comp id: KHM
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

C16,H161,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H161
chem comp bond.comp id: KHM
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

C18,H181,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H181
chem comp bond.comp id: KHM
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

C18,H182,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H182
chem comp bond.comp id: KHM
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

C19,H192,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H192
chem comp bond.comp id: KHM
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

C19,H191,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H191
chem comp bond.comp id: KHM
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

O23,H1,KHM
type: chem comp bond
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KHM/chem_comp_atom/,
chem comp bond.atom id 1: O23
chem comp bond.atom id 2: H1
chem comp bond.comp id: KHM
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

Create component,KHM,2018-12-07
type: pdbx chem comp audit
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: KHM
pdbx chem comp audit.date: 2018-12-07
pdbx chem comp audit.processing site: RCSB

Initial release,KHM,2018-12-19
type: pdbx chem comp audit
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: KHM
pdbx chem comp audit.date: 2018-12-19
pdbx chem comp audit.processing site: RCSB

KHM,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: KHM
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: c1ccccc1c4cc(O)n2c(c(cn2)C(NC3CCCCC3C(O)=O)=O)n4

KHM,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: KHM
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/C20H20N4O4/c25-17-10-16(12-6-2-1-3-7-12)22-18-14(11-21-24(17)18)19(26)23-15-9-5-4-8-13(15)20(27)28/h1-3,6-7,10-11,13,15,25H,4-5,8-9H2,(H,23,26)(H,27,28)/t13-,15+/m1/s1

KHM,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: KHM
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: PHGTYMRDHDEHLI-HIFRSBDPSA-N

KHM,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: KHM
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: OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c2cnn3c(O)cc(nc23)c4ccccc4

KHM,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: KHM
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: OC(=O)[CH]1CCCC[CH]1NC(=O)c2cnn3c(O)cc(nc23)c4ccccc4

KHM,OpenEye OEToolkits,2.0.6,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: KHM
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.6
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: c1ccc(cc1)c2cc(n3c(n2)c(cn3)C(=O)N[C@H]4CCCC[C@H]4C(=O)O)O

KHM,OpenEye OEToolkits,2.0.6,SMILES
type: pdbx chem comp descriptor
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: KHM
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.6
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: c1ccc(cc1)c2cc(n3c(n2)c(cn3)C(=O)NC4CCCCC4C(=O)O)O

KHM,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: KHM
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: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

KHM,OpenEye OEToolkits,2.0.6,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: KHM
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 2.0.6
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: (1~{R},2~{S})-2-[(7-oxidanyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-3-yl)carbonylamino]cyclohexane-1-carboxylic acid