Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
1W9
1W9
表記:(2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanyl-propanoic acid
組成式:C11 H15 N2 O8 P
SMILES:O=C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)CO
InChi:InChI=1S/C11H15N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2-3,9,14-15H,4-5H2,1H3,(H,16,17)(H2,18,19,20)/b13-3+/t9-/m1/s1
定義日:2014-02-24
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-serine
3W7
3W7
表記:1'-(2H-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6H)-one
組成式:C22 H25 N5 O2
SMILES:O=C2c1c(cnn1C(C)C)CC5(C2)CCN(C(=O)c3cc4cnnc4cc3)CC5
InChi:InChI=1S/C22H25N5O2/c1-14(2)27-20-17(13-24-27)10-22(11-19(20)28)5-7-26(8-6-22)21(29)15-3-4-18-16(9-15)12-23-25-18/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,23,25)
定義日:2014-11-24
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:1'-(2H-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6H)-one
3WE
3WE
表記:(2E,3aR,14aS)-9-bromo-2-imino-1,2,3,5,6,14a-hexahydro-4H,8H-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one
組成式:C15 H14 Br N5 O
SMILES:Brc2c1ccccc1n3c2C(=O)N5C4(NC(=[N@H])NC34)CCC5
InChi:InChI=1S/C15H14BrN5O/c16-10-8-4-1-2-5-9(8)21-11(10)12(22)20-7-3-6-15(20)13(21)18-14(17)19-15/h1-2,4-5,13H,3,6-7H2,(H3,17,18,19)/t13-,15+/m0/s1
定義日:2014-11-25
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:(2E,3aR,14aS)-9-bromo-2-imino-1,2,3,5,6,14a-hexahydro-4H,8H-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one
3WQ
3WQ
表記:1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone
組成式:C20 H21 N O4 S
SMILES:O=S(=O)(c3ccccc3c1cc(C(=O)C)n2c1cc(OCCC)cc2)C
InChi:InChI=1S/C20H21NO4S/c1-4-11-25-15-9-10-21-18(14(2)22)13-17(19(21)12-15)16-7-5-6-8-20(16)26(3,23)24/h5-10,12-13H,4,11H2,1-3H3
定義日:2014-11-28
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone
4QE
4QE
表記:6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine
組成式:C19 H23 N5 O
SMILES:n3c2c(nc(c1ccccc1C)n2)c(nc3N)OCC4CCCCC4
InChi:InChI=1S/C19H23N5O/c1-12-7-5-6-10-14(12)16-21-15-17(22-16)23-19(20)24-18(15)25-11-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3,(H3,20,21,22,23,24)
定義日:2013-11-19
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine
3M8
3M8
表記:2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid
組成式:C9 H8 F N O4 S2
SMILES:O=S(=O)(O)CCSc1cc(O)cc(F)c1C#N
InChi:InChI=1S/C9H8FNO4S2/c10-8-3-6(12)4-9(7(8)5-11)16-1-2-17(13,14)15/h3-4,12H,1-2H2,(H,13,14,15)
定義日:2014-09-22
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid
3PQ
3PQ
表記:2-(4-chlorophenoxy)-N-{[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}acetamide
組成式:C13 H14 Cl N3 O4
SMILES:O=C(NCC1(C(=O)NC(=O)N1)C)COc2ccc(Cl)cc2
InChi:InChI=1S/C13H14ClN3O4/c1-13(11(19)16-12(20)17-13)7-15-10(18)6-21-9-4-2-8(14)3-5-9/h2-5H,6-7H2,1H3,(H,15,18)(H2,16,17,19,20)/t13-/m1/s1
定義日:2014-10-02
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:2-(4-chlorophenoxy)-N-{[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}acetamide
3PU
3PU
表記:5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide
組成式:C16 H11 Cl N4 O4 S
SMILES:Clc1cc2cc(oc2cc1)C(=O)NCC3(NC(=O)NC3=O)c4nccs4
InChi:InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
定義日:2014-10-02
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide
3PW
3PW
表記:5-chloro-N-{[(4S)-4-(1-methyl-1H-imidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide
組成式:C17 H14 Cl N5 O4
SMILES:O=C2NC(=O)NC2(c1nccn1C)CNC(=O)c4oc3ccc(Cl)cc3c4
InChi:InChI=1S/C17H14ClN5O4/c1-23-5-4-19-14(23)17(15(25)21-16(26)22-17)8-20-13(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,20,24)(H2,21,22,25,26)/t17-/m0/s1
定義日:2014-10-02
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:5-chloro-N-{[(4S)-4-(1-methyl-1H-imidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide
R26
R26
表記:3-[(4-cyanobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
組成式:C18 H11 F3 N4 O2
SMILES:FC(F)(F)c1cc2nc(c(nc2cc1)C(=O)O)NCc3ccc(C#N)cc3
InChi:InChI=1S/C18H11F3N4O2/c19-18(20,21)12-5-6-13-14(7-12)25-16(15(24-13)17(26)27)23-9-11-3-1-10(8-22)2-4-11/h1-7H,9H2,(H,23,25)(H,26,27)
定義日:2014-04-04
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:3-[(4-cyanobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
R57
R57
表記:3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
組成式:C18 H13 F4 N3 O3
SMILES:FC(F)(F)c1cc2nc(c(nc2cc1)C(=O)O)NCc3ccc(OC)c(F)c3
InChi:InChI=1S/C18H13F4N3O3/c1-28-14-5-2-9(6-11(14)19)8-23-16-15(17(26)27)24-12-4-3-10(18(20,21)22)7-13(12)25-16/h2-7H,8H2,1H3,(H,23,25)(H,26,27)
定義日:2014-04-04
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
R58
R58
表記:3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
組成式:C19 H16 F3 N3 O3
SMILES:FC(F)(F)c1cc2nc(c(nc2cc1)C(=O)O)NCc3ccc(OCC)cc3
InChi:InChI=1S/C19H16F3N3O3/c1-2-28-13-6-3-11(4-7-13)10-23-17-16(18(26)27)24-14-8-5-12(19(20,21)22)9-15(14)25-17/h3-9H,2,10H2,1H3,(H,23,25)(H,26,27)
定義日:2014-04-04
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
33H
33H
表記:3-{(2R,5R)-5-cyclohexyl-2-[(2R)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid
組成式:C24 H33 N O5 S
SMILES:O=C3N(c1cc(C#CC(C)(C)C)sc1C(=O)O)C(C2CCCCC2)COC3CC(O)C
InChi:InChI=1S/C24H33NO5S/c1-15(26)12-20-22(27)25(19(14-30-20)16-8-6-5-7-9-16)18-13-17(10-11-24(2,3)4)31-21(18)23(28)29/h13,15-16,19-20,26H,5-9,12,14H2,1-4H3,(H,28,29)/t15-,19+,20-/m1/s1
定義日:2014-06-09
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:3-{(2R,5R)-5-cyclohexyl-2-[(2R)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid
RG2
RG2
表記:3-[(4-chlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
組成式:C17 H11 Cl F3 N3 O2
SMILES:FC(F)(F)c1cc2nc(c(nc2cc1)C(=O)O)NCc3ccc(Cl)cc3
InChi:InChI=1S/C17H11ClF3N3O2/c18-11-4-1-9(2-5-11)8-22-15-14(16(25)26)23-12-6-3-10(17(19,20)21)7-13(12)24-15/h1-7H,8H2,(H,22,24)(H,25,26)
定義日:2014-04-04
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:3-[(4-chlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
35O
35O
表記:N~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamide
組成式:C20 H24 N6 O3
SMILES:O=C(Nc1ccc(OC)cc1)C(NC2=NC(=O)c3c(N2)n(nc3)C4CCCC4)C
InChi:InChI=1S/C20H24N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)/t12-/m1/s1
定義日:2014-06-19
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:N~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamide
36C
36C
表記:3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
組成式:C17 H11 F4 N3 O2
SMILES:FC(F)(F)c1cc2nc(c(nc2cc1)C(=O)O)NCc3ccc(F)cc3
InChi:InChI=1S/C17H11F4N3O2/c18-11-4-1-9(2-5-11)8-22-15-14(16(25)26)23-12-6-3-10(17(19,20)21)7-13(12)24-15/h1-7H,8H2,(H,22,24)(H,25,26)
定義日:2014-04-04
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
38C
38C
表記:3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
組成式:C18 H14 F3 N3 O3
SMILES:FC(F)(F)c1cc2nc(c(nc2cc1)C(=O)O)NCc3ccc(OC)cc3
InChi:InChI=1S/C18H14F3N3O3/c1-27-12-5-2-10(3-6-12)9-22-16-15(17(25)26)23-13-7-4-11(18(19,20)21)8-14(13)24-16/h2-8H,9H2,1H3,(H,22,24)(H,25,26)
定義日:2014-04-04
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
3F7
3F7
表記:1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione)
組成式:C14 H8 N2 O4
SMILES:O=C3C=CC(=O)N3c1ccc(cc1)N2C(=O)C=CC2=O
InChi:InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H
定義日:2014-08-06
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione)
3F8
3F8
表記:1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione)
組成式:C14 H16 N2 O6
SMILES:O=C1C=CC(=O)N1CCOCCOCCN2C(=O)C=CC2=O
InChi:InChI=1S/C14H16N2O6/c17-11-1-2-12(18)15(11)5-7-21-9-10-22-8-6-16-13(19)3-4-14(16)20/h1-4H,5-10H2
定義日:2014-08-07
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione)
RRV
RRV
表記:(2R)-2,4-dihydroxy-N-[(3S)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide
組成式:C16 H25 N O4
SMILES:O=C(NCCC(O)Cc1ccccc1)C(O)C(C)(C)CO
InChi:InChI=1S/C16H25NO4/c1-16(2,11-18)14(20)15(21)17-9-8-13(19)10-12-6-4-3-5-7-12/h3-7,13-14,18-20H,8-11H2,1-2H3,(H,17,21)/t13-,14+/m1/s1
定義日:2014-04-11
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:(2R)-2,4-dihydroxy-N-[(3S)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide
3GQ
3GQ
表記:benzene-1,2,3-tricarboxylic acid
組成式:C9 H6 O6
SMILES:O=C(O)c1cccc(C(=O)O)c1C(=O)O
InChi:InChI=1S/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
定義日:2014-08-19
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:benzene-1,2,3-tricarboxylic acid
8H8
8H8
表記:2-fluoro-4-hydroxybenzonitrile
組成式:C7 H4 F N O
SMILES:Fc1c(C#N)ccc(O)c1
InChi:InChI=1S/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H
定義日:2014-09-22
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:2-fluoro-4-hydroxybenzonitrile
2J3
2J3
表記:(2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol
組成式:C9 H20 O4
SMILES:O(C(CO)C)CC(OCC(O)C)C
InChi:InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
定義日:2014-04-02
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:(2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol
4NO
4NO
表記:4-nitro-2-phosphonobenzoic acid
組成式:C7 H6 N O7 P
SMILES:[O-][N+](=O)c1cc(c(C(=O)O)cc1)P(=O)(O)O
InChi:InChI=1S/C7H6NO7P/c9-7(10)5-2-1-4(8(11)12)3-6(5)16(13,14)15/h1-3H,(H,9,10)(H2,13,14,15)
定義日:2014-08-27
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:4-nitro-2-phosphonobenzoic acid
OWL
OWL
表記:N-1H-imidazol-2-yl-N'-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
組成式:C18 H17 N7
SMILES:n1ccnc1Nc4ccc(Nc3ccc(Nc2nccn2)cc3)cc4
InChi:InChI=1S/C18H17N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-12,23H,(H2,19,20,24)(H2,21,22,25)
定義日:2009-01-13
最終更新日:2014-12-03
識別子（ID）:N-(1H-imidazol-2-yl)-N'-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine

224931

件を2024-09-11に公開中

PDB statisticsPDBj update infoContact PDBjnumon