4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
type: datablock
datablock name: 5GA
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

5GA
type: chem comp
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
chem comp.id: 5GA
chem comp.formula: C17 H10 Cl F N4 S
chem comp.formula weight: 356.805
chem comp.name: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
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: 2015-09-22
chem comp.pdbx model coordinates db code: 5DVU
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2015-09-25
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: 5GA
chem comp.type: non-polymer

N1,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: N1
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: N1
chem comp atom.charge: 0
chem comp atom.model cartn x: 3.394
chem comp atom.model cartn y: -6.828
chem comp atom.model cartn z: 30.860
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N1
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.329
chem comp atom.pdbx model cartn y ideal: -0.216
chem comp atom.pdbx model cartn z ideal: 0.074
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N3,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: N3
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: N2
chem comp atom.charge: 0
chem comp atom.model cartn x: 0.010
chem comp atom.model cartn y: -2.631
chem comp atom.model cartn z: 29.511
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N3
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.882
chem comp atom.pdbx model cartn y ideal: 5.082
chem comp atom.pdbx model cartn z ideal: -0.073
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C4,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: C4
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.084
chem comp atom.model cartn y: -9.906
chem comp atom.model cartn z: 31.014
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C4
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.441
chem comp atom.pdbx model cartn y ideal: -2.821
chem comp atom.pdbx model cartn z ideal: 0.275
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C5,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: C5
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: 2.107
chem comp atom.model cartn y: -7.144
chem comp atom.model cartn z: 30.840
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C5
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.562
chem comp atom.pdbx model cartn y ideal: 1.087
chem comp atom.pdbx model cartn z ideal: 0.060
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C6,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: C6
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: 1.616
chem comp atom.model cartn y: -8.451
chem comp atom.model cartn z: 30.860
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C6
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.875
chem comp atom.pdbx model cartn y ideal: 1.596
chem comp atom.pdbx model cartn z ideal: 0.114
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C7,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: C7
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: 2.507
chem comp atom.model cartn y: -9.474
chem comp atom.model cartn z: 30.900
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C7
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.931
chem comp atom.pdbx model cartn y ideal: 0.742
chem comp atom.pdbx model cartn z ideal: 0.181
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C8,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: C8
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: 1.245
chem comp atom.model cartn y: -5.959
chem comp atom.model cartn z: 30.730
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C8
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.428
chem comp atom.pdbx model cartn y ideal: 2.021
chem comp atom.pdbx model cartn z ideal: -0.013
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C10,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: -0.008
chem comp atom.model cartn y: -5.692
chem comp atom.model cartn z: 31.224
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: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.889
chem comp atom.pdbx model cartn y ideal: 1.682
chem comp atom.pdbx model cartn z ideal: -0.205
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C13,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: C13
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: -3.013
chem comp atom.model cartn y: -7.311
chem comp atom.model cartn z: 32.768
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: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.876
chem comp atom.pdbx model cartn y ideal: -1.482
chem comp atom.pdbx model cartn z ideal: 0.196
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C15,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: C15
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: -1.085
chem comp atom.model cartn y: -8.006
chem comp atom.model cartn z: 34.021
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C15
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.118
chem comp atom.pdbx model cartn y ideal: -1.875
chem comp atom.pdbx model cartn z ideal: -1.395
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CL,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: CL
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: CL1
chem comp atom.charge: 0
chem comp atom.model cartn x: -4.734
chem comp atom.model cartn y: -7.316
chem comp atom.model cartn z: 32.549
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CL
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.248
chem comp atom.pdbx model cartn y ideal: -2.059
chem comp atom.pdbx model cartn z ideal: 1.090
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: CL

C12,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: C12
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: -2.212
chem comp atom.model cartn y: -6.593
chem comp atom.model cartn z: 31.903
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: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.450
chem comp atom.pdbx model cartn y ideal: -0.179
chem comp atom.pdbx model cartn z ideal: 0.353
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C14,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: C14
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: -2.445
chem comp atom.model cartn y: -8.008
chem comp atom.model cartn z: 33.814
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C14
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.214
chem comp atom.pdbx model cartn y ideal: -2.330
chem comp atom.pdbx model cartn z ideal: -0.679
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

F,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: F
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: F1
chem comp atom.charge: 0
chem comp atom.model cartn x: -3.250
chem comp atom.model cartn y: -8.694
chem comp atom.model cartn z: 34.663
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: F
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.638
chem comp atom.pdbx model cartn y ideal: -3.603
chem comp atom.pdbx model cartn z ideal: -0.833
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: F

C16,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: C16
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: -0.278
chem comp atom.model cartn y: -7.280
chem comp atom.model cartn z: 33.159
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C16
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.688
chem comp atom.pdbx model cartn y ideal: -0.572
chem comp atom.pdbx model cartn z ideal: -1.249
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C11,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: C11
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: -0.834
chem comp atom.model cartn y: -6.558
chem comp atom.model cartn z: 32.097
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C11
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.351
chem comp atom.pdbx model cartn y ideal: 0.285
chem comp atom.pdbx model cartn z ideal: -0.370
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N2,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: N2
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: N3
chem comp atom.charge: 0
chem comp atom.model cartn x: -0.548
chem comp atom.model cartn y: -4.482
chem comp atom.model cartn z: 30.830
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N2
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.706
chem comp atom.pdbx model cartn y ideal: 2.722
chem comp atom.pdbx model cartn z ideal: -0.230
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C9,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: C9
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: C13
chem comp atom.charge: 0
chem comp atom.model cartn x: 0.280
chem comp atom.model cartn y: -3.825
chem comp atom.model cartn z: 30.052
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C9
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.175
chem comp atom.pdbx model cartn y ideal: 3.895
chem comp atom.pdbx model cartn z ideal: -0.074
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

S,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: S
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: S1
chem comp atom.charge: 0
chem comp atom.model cartn x: 1.794
chem comp atom.model cartn y: -4.625
chem comp atom.model cartn z: 29.739
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: S
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.518
chem comp atom.pdbx model cartn y ideal: 3.775
chem comp atom.pdbx model cartn z ideal: 0.123
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: S

C,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: C
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: C14
chem comp atom.charge: 0
chem comp atom.model cartn x: 3.885
chem comp atom.model cartn y: -9.196
chem comp atom.model cartn z: 30.922
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.673
chem comp atom.pdbx model cartn y ideal: -0.647
chem comp atom.pdbx model cartn z ideal: 0.195
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C1,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: C1
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: C15
chem comp atom.charge: 0
chem comp atom.model cartn x: 4.308
chem comp atom.model cartn y: -7.854
chem comp atom.model cartn z: 30.897
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C1
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.331
chem comp atom.pdbx model cartn y ideal: -1.096
chem comp atom.pdbx model cartn z ideal: 0.139
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C2,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: C2
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: C16
chem comp atom.charge: 0
chem comp atom.model cartn x: 5.687
chem comp atom.model cartn y: -7.572
chem comp atom.model cartn z: 30.921
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C2
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.080
chem comp atom.pdbx model cartn y ideal: -2.483
chem comp atom.pdbx model cartn z ideal: 0.154
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C3,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: C3
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: C17
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.576
chem comp atom.model cartn y: -8.604
chem comp atom.model cartn z: 30.978
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C3
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.147
chem comp atom.pdbx model cartn y ideal: -3.332
chem comp atom.pdbx model cartn z ideal: 0.222
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: N
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: N4
chem comp atom.charge: 0
chem comp atom.model cartn x: 4.795
chem comp atom.model cartn y: -10.224
chem comp atom.model cartn z: 30.982
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N
chem comp atom.pdbx component comp id: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.672
chem comp atom.pdbx model cartn y ideal: -1.530
chem comp atom.pdbx model cartn z ideal: 0.261
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

H1,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: 0.784
chem comp atom.model cartn y: -2.336
chem comp atom.model cartn z: 28.951
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: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.845
chem comp atom.pdbx model cartn y ideal: 5.073
chem comp atom.pdbx model cartn z ideal: -0.195
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: -0.807
chem comp atom.model cartn y: -2.701
chem comp atom.model cartn z: 28.939
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: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.416
chem comp atom.pdbx model cartn y ideal: 5.924
chem comp atom.pdbx model cartn z ideal: 0.049
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.800
chem comp atom.model cartn y: -10.713
chem comp atom.model cartn z: 31.072
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: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.276
chem comp atom.pdbx model cartn y ideal: -3.504
chem comp atom.pdbx model cartn z ideal: 0.329
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: 0.553
chem comp atom.model cartn y: -8.643
chem comp atom.model cartn z: 30.844
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: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.042
chem comp atom.pdbx model cartn y ideal: 2.663
chem comp atom.pdbx model cartn z ideal: 0.102
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: 2.159
chem comp atom.model cartn y: -10.496
chem comp atom.model cartn z: 30.915
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: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.943
chem comp atom.pdbx model cartn y ideal: 1.117
chem comp atom.pdbx model cartn z ideal: 0.223
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: -0.653
chem comp atom.model cartn y: -8.561
chem comp atom.model cartn z: 34.841
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: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.605
chem comp atom.pdbx model cartn y ideal: -2.539
chem comp atom.pdbx model cartn z ideal: -2.075
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: -2.654
chem comp atom.model cartn y: -6.058
chem comp atom.model cartn z: 31.076
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: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.966
chem comp atom.pdbx model cartn y ideal: 0.481
chem comp atom.pdbx model cartn z ideal: 1.035
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: 0.792
chem comp atom.model cartn y: -7.271
chem comp atom.model cartn z: 33.309
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: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.161
chem comp atom.pdbx model cartn y ideal: -0.217
chem comp atom.pdbx model cartn z ideal: -1.814
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.036
chem comp atom.model cartn y: -6.550
chem comp atom.model cartn z: 30.895
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: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.070
chem comp atom.pdbx model cartn y ideal: -2.863
chem comp atom.pdbx model cartn z ideal: 0.112
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,5GA
type: chem comp atom
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: 5GA
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.639
chem comp atom.model cartn y: -8.416
chem comp atom.model cartn z: 30.995
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: 5GA
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.987
chem comp atom.pdbx model cartn y ideal: -4.400
chem comp atom.pdbx model cartn z ideal: 0.236
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

N3,C9,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: N3
chem comp bond.atom id 2: C9
chem comp bond.comp id: 5GA
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: sing

S,C9,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: S
chem comp bond.atom id 2: C9
chem comp bond.comp id: 5GA
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

S,C8,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: S
chem comp bond.atom id 2: C8
chem comp bond.comp id: 5GA
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C9,N2,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: N2
chem comp bond.comp id: 5GA
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C8,C5,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C5
chem comp bond.comp id: 5GA
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

C8,C10,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C10
chem comp bond.comp id: 5GA
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: doub

N2,C10,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: N2
chem comp bond.atom id 2: C10
chem comp bond.comp id: 5GA
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

C5,N1,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: N1
chem comp bond.comp id: 5GA
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C5,C6,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.comp id: 5GA
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N1,C1,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: C1
chem comp bond.comp id: 5GA
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: sing

C6,C7,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C7
chem comp bond.comp id: 5GA
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C1,C2,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.comp id: 5GA
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

C1,C,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C
chem comp bond.comp id: 5GA
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

C7,C,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C
chem comp bond.comp id: 5GA
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

C2,C3,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.comp id: 5GA
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: sing

C,N,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C
chem comp bond.atom id 2: N
chem comp bond.comp id: 5GA
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

C3,C4,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C4
chem comp bond.comp id: 5GA
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: doub

N,C4,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: N
chem comp bond.atom id 2: C4
chem comp bond.comp id: 5GA
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

C10,C11,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C11
chem comp bond.comp id: 5GA
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,C11,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C11
chem comp bond.comp id: 5GA
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

C12,C13,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C13
chem comp bond.comp id: 5GA
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

C11,C16,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: C16
chem comp bond.comp id: 5GA
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

CL,C13,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: CL
chem comp bond.atom id 2: C13
chem comp bond.comp id: 5GA
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

C13,C14,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C14
chem comp bond.comp id: 5GA
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: doub

C16,C15,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C15
chem comp bond.comp id: 5GA
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C14,C15,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: C15
chem comp bond.comp id: 5GA
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

C14,F,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: F
chem comp bond.comp id: 5GA
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

N3,H1,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: N3
chem comp bond.atom id 2: H1
chem comp bond.comp id: 5GA
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

N3,H2,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: N3
chem comp bond.atom id 2: H2
chem comp bond.comp id: 5GA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C4,H3,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H3
chem comp bond.comp id: 5GA
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

C6,H4,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H4
chem comp bond.comp id: 5GA
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

C7,H5,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H5
chem comp bond.comp id: 5GA
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

C15,H6,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H6
chem comp bond.comp id: 5GA
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

C12,H7,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H7
chem comp bond.comp id: 5GA
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

C16,H8,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H8
chem comp bond.comp id: 5GA
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

C2,H9,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H9
chem comp bond.comp id: 5GA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 36
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,H10,5GA
type: chem comp bond
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5GA/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H10
chem comp bond.comp id: 5GA
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

Create component,5GA,2015-09-22
type: pdbx chem comp audit
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: 5GA
pdbx chem comp audit.date: 2015-09-22
pdbx chem comp audit.processing site: RCSB

Initial release,5GA,2015-09-30
type: pdbx chem comp audit
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: 5GA
pdbx chem comp audit.date: 2015-09-30
pdbx chem comp audit.processing site: RCSB

5GA,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5GA
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: n1c4c(ccc1c3c(c2cc(c(cc2)F)Cl)nc(N)s3)nccc4

5GA,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5GA
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/C17H10ClFN4S/c18-10-8-9(3-4-11(10)19)15-16(24-17(20)23-15)14-6-5-12-13(22-14)2-1-7-21-12/h1-8H,(H2,20,23)

5GA,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5GA
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: QPTHMBUJLWRYEC-UHFFFAOYSA-N

5GA,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5GA
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: Nc1sc(c2ccc3ncccc3n2)c(n1)c4ccc(F)c(Cl)c4

5GA,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5GA
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: Nc1sc(c2ccc3ncccc3n2)c(n1)c4ccc(F)c(Cl)c4

5GA,OpenEye OEToolkits,1.9.2,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5GA
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.9.2
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: c1cc2c(ccc(n2)c3c(nc(s3)N)c4ccc(c(c4)Cl)F)nc1

5GA,OpenEye OEToolkits,1.9.2,SMILES
type: pdbx chem comp descriptor
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5GA
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.9.2
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: c1cc2c(ccc(n2)c3c(nc(s3)N)c4ccc(c(c4)Cl)F)nc1

5GA,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 5GA
pdbx chem comp identifier.program: ACDLabs
pdbx chem comp identifier.program version: 12.01
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine

5GA,OpenEye OEToolkits,1.9.2,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 5GA
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 1.9.2
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 4-(3-chloranyl-4-fluoranyl-phenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine