7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
type: datablock
datablock name: EKI
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

EKI
type: chem comp
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
chem comp.id: EKI
chem comp.formula: C13 H15 N5 O3
chem comp.formula weight: 289.290
chem comp.name: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
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: 2023-03-27
chem comp.pdbx model coordinates db code: 8GM4
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2023-05-26
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: EKI
chem comp.type: non-polymer

C01,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C01
chem comp atom.comp id: EKI
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: 5.648
chem comp atom.model cartn y: 3.566
chem comp atom.model cartn z: 20.148
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C01
chem comp atom.pdbx component comp id: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.978
chem comp atom.pdbx model cartn y ideal: -1.710
chem comp atom.pdbx model cartn z ideal: 0.143
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C03,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C03
chem comp atom.comp id: EKI
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: 5.469
chem comp atom.model cartn y: 1.113
chem comp atom.model cartn z: 20.475
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C03
chem comp atom.pdbx component comp id: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.384
chem comp atom.pdbx model cartn y ideal: 0.156
chem comp atom.pdbx model cartn z ideal: 0.350
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C05,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C05
chem comp atom.comp id: EKI
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.509
chem comp atom.model cartn y: 2.060
chem comp atom.model cartn z: 19.362
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.058
chem comp atom.pdbx model cartn y ideal: 0.588
chem comp atom.pdbx model cartn z ideal: 0.218
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C06,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C06
chem comp atom.comp id: EKI
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.959
chem comp atom.model cartn y: 3.360
chem comp atom.model cartn z: 19.514
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.178
chem comp atom.pdbx model cartn y ideal: -0.800
chem comp atom.pdbx model cartn z ideal: 0.121
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C08,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C08
chem comp atom.comp id: EKI
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.437
chem comp atom.model cartn y: 2.967
chem comp atom.model cartn z: 18.318
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.207
chem comp atom.pdbx model cartn y ideal: 1.032
chem comp atom.pdbx model cartn z ideal: 0.096
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C09,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C09
chem comp atom.comp id: EKI
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.952
chem comp atom.model cartn y: 4.320
chem comp atom.model cartn z: 18.428
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.520
chem comp atom.pdbx model cartn y ideal: -0.339
chem comp atom.pdbx model cartn z ideal: -0.005
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C10,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: EKI
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.707
chem comp atom.model cartn y: 4.457
chem comp atom.model cartn z: 19.036
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.481
chem comp atom.pdbx model cartn y ideal: -1.274
chem comp atom.pdbx model cartn z ideal: 0.008
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C11,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C11
chem comp atom.comp id: EKI
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: 3.570
chem comp atom.model cartn y: 2.546
chem comp atom.model cartn z: 21.285
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C11
chem comp atom.pdbx component comp id: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.381
chem comp atom.pdbx model cartn y ideal: -2.054
chem comp atom.pdbx model cartn z ideal: 0.292
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C12,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C12
chem comp atom.comp id: EKI
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: 2.382
chem comp atom.model cartn y: 2.149
chem comp atom.model cartn z: 20.402
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C12
chem comp atom.pdbx component comp id: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.889
chem comp atom.pdbx model cartn y ideal: -2.278
chem comp atom.pdbx model cartn z ideal: -1.134
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C16,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C16
chem comp atom.comp id: EKI
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.762
chem comp atom.model cartn y: 5.459
chem comp atom.model cartn z: 17.918
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.920
chem comp atom.pdbx model cartn y ideal: -0.779
chem comp atom.pdbx model cartn z ideal: -0.122
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C19,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C19
chem comp atom.comp id: EKI
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.251
chem comp atom.model cartn y: -0.459
chem comp atom.model cartn z: 19.729
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.636
chem comp atom.pdbx model cartn y ideal: 2.463
chem comp atom.pdbx model cartn z ideal: 0.432
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C20,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C20
chem comp atom.comp id: EKI
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.501
chem comp atom.model cartn y: -1.576
chem comp atom.model cartn z: 18.960
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.428
chem comp atom.pdbx model cartn y ideal: 3.115
chem comp atom.pdbx model cartn z ideal: -0.704
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C21,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C21
chem comp atom.comp id: EKI
chem comp atom.alt atom id: C13
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.832
chem comp atom.model cartn y: -1.081
chem comp atom.model cartn z: 18.443
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.929
chem comp atom.pdbx model cartn y ideal: 3.390
chem comp atom.pdbx model cartn z ideal: -0.560
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N02,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N02
chem comp atom.comp id: EKI
chem comp atom.alt atom id: N1
chem comp atom.charge: 0
chem comp atom.model cartn x: 4.933
chem comp atom.model cartn y: 2.407
chem comp atom.model cartn z: 20.618
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N02
chem comp atom.pdbx component comp id: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.212
chem comp atom.pdbx model cartn y ideal: -1.173
chem comp atom.pdbx model cartn z ideal: 0.261
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N04,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N04
chem comp atom.comp id: EKI
chem comp atom.alt atom id: N2
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.772
chem comp atom.model cartn y: 0.945
chem comp atom.model cartn z: 19.841
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N04
chem comp atom.pdbx component comp id: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.363
chem comp atom.pdbx model cartn y ideal: 1.028
chem comp atom.pdbx model cartn z ideal: 0.329
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N07,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N07
chem comp atom.comp id: EKI
chem comp atom.alt atom id: N3
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.722
chem comp atom.model cartn y: 1.872
chem comp atom.model cartn z: 18.780
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N07
chem comp atom.pdbx component comp id: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.952
chem comp atom.pdbx model cartn y ideal: 1.441
chem comp atom.pdbx model cartn z ideal: 0.202
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N15,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N15
chem comp atom.comp id: EKI
chem comp atom.alt atom id: N4
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.638
chem comp atom.model cartn y: 2.651
chem comp atom.model cartn z: 17.748
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.224
chem comp atom.pdbx model cartn y ideal: 1.961
chem comp atom.pdbx model cartn z ideal: 0.083
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N18,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N18
chem comp atom.comp id: EKI
chem comp atom.alt atom id: N5
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.311
chem comp atom.model cartn y: 6.772
chem comp atom.model cartn z: 17.920
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N18
chem comp atom.pdbx component comp id: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.219
chem comp atom.pdbx model cartn y ideal: -2.093
chem comp atom.pdbx model cartn z ideal: -0.085
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

O13,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: O13
chem comp atom.comp id: EKI
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: 4.850
chem comp atom.model cartn y: 0.139
chem comp atom.model cartn z: 20.880
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.515
chem comp atom.pdbx model cartn y ideal: 0.589
chem comp atom.pdbx model cartn z ideal: 0.455
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O14,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: O14
chem comp atom.comp id: EKI
chem comp atom.alt atom id: O2
chem comp atom.charge: 0
chem comp atom.model cartn x: 5.139
chem comp atom.model cartn y: 4.662
chem comp atom.model cartn z: 20.294
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O14
chem comp atom.pdbx component comp id: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.826
chem comp atom.pdbx model cartn y ideal: -2.914
chem comp atom.pdbx model cartn z ideal: 0.062
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O17,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: O17
chem comp atom.comp id: EKI
chem comp atom.alt atom id: O3
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.905
chem comp atom.model cartn y: 5.289
chem comp atom.model cartn z: 17.464
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O17
chem comp atom.pdbx component comp id: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.807
chem comp atom.pdbx model cartn y ideal: 0.043
chem comp atom.pdbx model cartn z ideal: -0.252
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

H1,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: EKI
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.295
chem comp atom.model cartn y: 5.449
chem comp atom.model cartn z: 19.147
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.684
chem comp atom.pdbx model cartn y ideal: -2.332
chem comp atom.pdbx model cartn z ideal: -0.068
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: EKI
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: 3.440
chem comp atom.model cartn y: 3.597
chem comp atom.model cartn z: 21.583
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.103
chem comp atom.pdbx model cartn y ideal: -3.011
chem comp atom.pdbx model cartn z ideal: 0.733
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: EKI
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: 3.560
chem comp atom.model cartn y: 1.907
chem comp atom.model cartn z: 22.181
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.168
chem comp atom.pdbx model cartn y ideal: -1.593
chem comp atom.pdbx model cartn z ideal: 0.890
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: EKI
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: 1.446
chem comp atom.model cartn y: 2.281
chem comp atom.model cartn z: 20.964
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.168
chem comp atom.pdbx model cartn y ideal: -1.321
chem comp atom.pdbx model cartn z ideal: -1.575
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: EKI
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: 2.364
chem comp atom.model cartn y: 2.785
chem comp atom.model cartn z: 19.505
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.760
chem comp atom.pdbx model cartn y ideal: -2.934
chem comp atom.pdbx model cartn z ideal: -1.111
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: EKI
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: 2.484
chem comp atom.model cartn y: 1.095
chem comp atom.model cartn z: 20.103
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.103
chem comp atom.pdbx model cartn y ideal: -2.739
chem comp atom.pdbx model cartn z ideal: -1.732
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: EKI
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.743
chem comp atom.model cartn y: -0.830
chem comp atom.model cartn z: 20.640
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.801
chem comp atom.pdbx model cartn y ideal: 2.839
chem comp atom.pdbx model cartn z ideal: 1.441
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: EKI
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: 5.577
chem comp atom.model cartn y: -1.339
chem comp atom.model cartn z: 18.412
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.115
chem comp atom.pdbx model cartn y ideal: 3.920
chem comp atom.pdbx model cartn z ideal: -0.441
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: EKI
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.422
chem comp atom.model cartn y: -2.583
chem comp atom.model cartn z: 19.395
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.746
chem comp atom.pdbx model cartn y ideal: 2.475
chem comp atom.pdbx model cartn z ideal: -1.527
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: EKI
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.718
chem comp atom.model cartn y: -1.731
chem comp atom.model cartn z: 18.501
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.261
chem comp atom.pdbx model cartn y ideal: 2.931
chem comp atom.pdbx model cartn z ideal: -1.289
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: EKI
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.873
chem comp atom.model cartn y: -0.487
chem comp atom.model cartn z: 17.518
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.630
chem comp atom.pdbx model cartn y ideal: 4.375
chem comp atom.pdbx model cartn z ideal: -0.203
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H12
chem comp atom.comp id: EKI
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.771
chem comp atom.model cartn y: 1.660
chem comp atom.model cartn z: 17.776
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.056
chem comp atom.pdbx model cartn y ideal: 1.765
chem comp atom.pdbx model cartn z ideal: -0.376
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H13,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H13
chem comp atom.comp id: EKI
chem comp atom.alt atom id: H13
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.648
chem comp atom.model cartn y: 2.961
chem comp atom.model cartn z: 16.797
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.109
chem comp atom.pdbx model cartn y ideal: 2.812
chem comp atom.pdbx model cartn z ideal: 0.535
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H14,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H14
chem comp atom.comp id: EKI
chem comp atom.alt atom id: H14
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.898
chem comp atom.model cartn y: 7.503
chem comp atom.model cartn z: 17.571
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.512
chem comp atom.pdbx model cartn y ideal: -2.748
chem comp atom.pdbx model cartn z ideal: 0.019
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H15,EKI
type: chem comp atom
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H15
chem comp atom.comp id: EKI
chem comp atom.alt atom id: H15
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.400
chem comp atom.model cartn y: 6.987
chem comp atom.model cartn z: 18.271
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: EKI
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.142
chem comp atom.pdbx model cartn y ideal: -2.383
chem comp atom.pdbx model cartn z ideal: -0.162
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

O17,C16,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: O17
chem comp bond.atom id 2: C16
chem comp bond.comp id: EKI
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

N15,C08,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: N15
chem comp bond.atom id 2: C08
chem comp bond.comp id: EKI
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

C16,N18,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: N18
chem comp bond.comp id: EKI
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

C16,C09,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C09
chem comp bond.comp id: EKI
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

C08,C09,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C08
chem comp bond.atom id 2: C09
chem comp bond.comp id: EKI
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

C08,N07,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C08
chem comp bond.atom id 2: N07
chem comp bond.comp id: EKI
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

C09,C10,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C09
chem comp bond.atom id 2: C10
chem comp bond.comp id: EKI
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,C20,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C20
chem comp bond.comp id: EKI
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

C21,C19,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C19
chem comp bond.comp id: EKI
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

N07,C05,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: N07
chem comp bond.atom id 2: C05
chem comp bond.comp id: EKI
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C20,C19,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C19
chem comp bond.comp id: EKI
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: sing

C10,C06,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C06
chem comp bond.comp id: EKI
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: doub

C05,C06,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C05
chem comp bond.atom id 2: C06
chem comp bond.comp id: EKI
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

C05,N04,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C05
chem comp bond.atom id 2: N04
chem comp bond.comp id: EKI
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C06,C01,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C06
chem comp bond.atom id 2: C01
chem comp bond.comp id: EKI
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C19,N04,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: N04
chem comp bond.comp id: EKI
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N04,C03,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: N04
chem comp bond.atom id 2: C03
chem comp bond.comp id: EKI
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

C01,O14,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C01
chem comp bond.atom id 2: O14
chem comp bond.comp id: EKI
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: doub

C01,N02,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C01
chem comp bond.atom id 2: N02
chem comp bond.comp id: EKI
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

C12,C11,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C11
chem comp bond.comp id: EKI
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: sing

C03,N02,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C03
chem comp bond.atom id 2: N02
chem comp bond.comp id: EKI
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: sing

C03,O13,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C03
chem comp bond.atom id 2: O13
chem comp bond.comp id: EKI
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: doub

N02,C11,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: N02
chem comp bond.atom id 2: C11
chem comp bond.comp id: EKI
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C10,H1,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H1
chem comp bond.comp id: EKI
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C11,H2,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H2
chem comp bond.comp id: EKI
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

C11,H3,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H3
chem comp bond.comp id: EKI
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 26
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C12,H4,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H4
chem comp bond.comp id: EKI
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C12,H5,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H5
chem comp bond.comp id: EKI
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 28
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C12,H6,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H6
chem comp bond.comp id: EKI
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

C19,H7,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H7
chem comp bond.comp id: EKI
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

C20,H8,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H8
chem comp bond.comp id: EKI
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

C20,H9,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H9
chem comp bond.comp id: EKI
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

C21,H10,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H10
chem comp bond.comp id: EKI
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

C21,H11,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H11
chem comp bond.comp id: EKI
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

N15,H12,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: N15
chem comp bond.atom id 2: H12
chem comp bond.comp id: EKI
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

N15,H13,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: N15
chem comp bond.atom id 2: H13
chem comp bond.comp id: EKI
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

N18,H14,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: N18
chem comp bond.atom id 2: H14
chem comp bond.comp id: EKI
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

N18,H15,EKI
type: chem comp bond
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EKI/chem_comp_atom/,
chem comp bond.atom id 1: N18
chem comp bond.atom id 2: H15
chem comp bond.comp id: EKI
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

Create component,EKI,2023-03-27
type: pdbx chem comp audit
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: EKI
pdbx chem comp audit.date: 2023-03-27
pdbx chem comp audit.processing site: RCSB

Initial release,EKI,2023-05-31
type: pdbx chem comp audit
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: EKI
pdbx chem comp audit.date: 2023-05-31
pdbx chem comp audit.processing site: RCSB

EKI,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: EKI
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: NC(=O)c1cc2c(nc1N)N(C(=O)N(CC)C2=O)C1CC1

EKI,InChI,1.06,InChI
type: pdbx chem comp descriptor
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: EKI
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.06
pdbx chem comp descriptor.type: InChI
pdbx chem comp descriptor.descriptor: InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19)

EKI,InChI,1.06,InChIKey
type: pdbx chem comp descriptor
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: EKI
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.06
pdbx chem comp descriptor.type: InChIKey
pdbx chem comp descriptor.descriptor: HWODCHXORCTEGU-UHFFFAOYSA-N

EKI,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: EKI
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: CCN1C(=O)N(C2CC2)c3nc(N)c(cc3C1=O)C(N)=O

EKI,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: EKI
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: CCN1C(=O)N(C2CC2)c3nc(N)c(cc3C1=O)C(N)=O

EKI,OpenEye OEToolkits,2.0.7,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: EKI
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.7
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: CCN1C(=O)c2cc(c(nc2N(C1=O)C3CC3)N)C(=O)N

EKI,OpenEye OEToolkits,2.0.7,SMILES
type: pdbx chem comp descriptor
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: EKI
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.7
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: CCN1C(=O)c2cc(c(nc2N(C1=O)C3CC3)N)C(=O)N

EKI,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: EKI
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: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide

EKI,OpenEye OEToolkits,2.0.7,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: EKI
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 2.0.7
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 7-azanyl-1-cyclopropyl-3-ethyl-2,4-bis(oxidanylidene)pyrido[2,3-d]pyrimidine-6-carboxamide