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
DZ4
DZ4
表記:2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine
組成式:C10 H17 N6 O11 P3
SMILES:O=P(O)(O)OP(=O)(O)NP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:InChI=1S/C10H17N6O11P3/c11-9-8-10(13-3-12-9)16(4-14-8)7-1-5(17)6(26-7)2-25-28(18,19)15-29(20,21)27-30(22,23)24/h3-7,17H,1-2H2,(H2,11,12,13)(H2,22,23,24)(H3,15,18,19,20,21)/t5-,6+,7+/m0/s1
定義日:2010-04-29
最終更新日:2011-06-04
識別子（ID）:2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine
DZ9
DZ9
表記:3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
組成式:C18 H12 F N3 O S2
SMILES:Fc1cccc(c1)NC(=O)c3sc2nc(ccc2c3N)c4sccc4
InChi:InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)
定義日:2009-05-12
最終更新日:2011-06-04
識別子（ID）:3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
DZD
DZD
表記:5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine
組成式:C24 H33 N7 O11 P2
SMILES:O=C(N)c1cc(ccc1)CN2CC(O)C(C2)COP(=O)(O)CP(=O)(O)OCC5OC(n4cnc3c(ncnc34)N)C(O)C5O
InChi:InChI=1S/C24H33N7O11P2/c25-21-18-23(28-10-27-21)31(11-29-18)24-20(34)19(33)17(42-24)9-41-44(38,39)12-43(36,37)40-8-15-6-30(7-16(15)32)5-13-2-1-3-14(4-13)22(26)35/h1-4,10-11,15-17,19-20,24,32-34H,5-9,12H2,(H2,26,35)(H,36,37)(H,38,39)(H2,25,27,28)/t15-,16+,17-,19-,20-,24-/m1/s1
定義日:2008-06-24
最終更新日:2011-06-04
識別子（ID）:5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine
DZE
DZE
表記:methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate
組成式:C11 H19 N O5
SMILES:O=C(OC(C)(C)C)NC(C(=O)C)CC(=O)OC
InChi:InChI=1S/C11H19NO5/c1-7(13)8(6-9(14)16-5)12-10(15)17-11(2,3)4/h8H,6H2,1-5H3,(H,12,15)/t8-/m0/s1
定義日:2009-03-10
最終更新日:2011-06-04
識別子（ID）:methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate
DZF
DZF
表記:5-DEAZAFOLIC ACID
組成式:C20 H20 N6 O6
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)NCc2cnc3NC(=NC(=O)c3c2)N)CCC(=O)O
InChi:InChI=1S/C20H20N6O6/c21-20-25-16-13(18(30)26-20)7-10(9-23-16)8-22-12-3-1-11(2-4-12)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,7,9,14,22H,5-6,8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,23,25,26,30)/t14-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-[(4-{[(2-amino-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid
DZO
DZO
表記:3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
組成式:C18 H14 Cl N5
SMILES:Clc1cccc(c1)Nc2nc3c(cnn3cc2)c4cccc(N)c4
InChi:InChI=1S/C18H14ClN5/c19-13-4-2-6-15(10-13)22-17-7-8-24-18(23-17)16(11-21-24)12-3-1-5-14(20)9-12/h1-11H,20H2,(H,22,23)
定義日:2008-08-20
最終更新日:2011-06-04
識別子（ID）:3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
DZP
DZP
表記:7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE
組成式:C16 H13 Cl N2 O
SMILES:Clc3cc1c(N(C(=O)CN=C1c2ccccc2)C)cc3
InChi:InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
定義日:2005-07-26
最終更新日:2011-06-04
識別子（ID）:7-chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
E02
E02
表記:5-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide
組成式:C15 H12 Cl N3 O3 S
SMILES:O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)Cn2c3ccccc3nc2
InChi:InChI=1S/C15H12ClN3O3S/c16-11-6-5-10(7-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)
定義日:2010-03-22
最終更新日:2011-06-04
識別子（ID）:5-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide
E04
E04
表記:3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN
組成式:C25 H33 N O3
SMILES:O=C(N)c1cc3c(cc1)C2CCC5(C(C2CC3)CCC54OC(=O)C(C)(C)CC4)C
InChi:InChI=1S/C25H33NO3/c1-23(2)12-13-25(29-22(23)28)11-9-20-19-7-4-15-14-16(21(26)27)5-6-17(15)18(19)8-10-24(20,25)3/h5-6,14,18-20H,4,7-13H2,1-3H3,(H2,26,27)/t18-,19-,20+,24+,25-/m1/s1
定義日:2005-06-01
最終更新日:2011-06-04
識別子（ID）:(8R,9S,13S,14S,17R)-5',5',13-trimethyl-6'-oxo-3',4',5',6,6',7,8,9,11,12,13,14,15,16-tetradecahydrospiro[cyclopenta[a]phenanthrene-17,2'-pyran]-3-carboxamide
E27
E27
表記:2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide
組成式:C18 H13 Cl N4 O3 S2
SMILES:O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)CSc4nc3cnc2ccccc2c3n4
InChi:InChI=1S/C18H13ClN4O3S2/c19-12-6-5-10(7-16(12)28(20,25)26)15(24)9-27-18-22-14-8-21-13-4-2-1-3-11(13)17(14)23-18/h1-8H,9H2,(H,22,23)(H2,20,25,26)
定義日:2010-05-12
最終更新日:2011-06-04
識別子（ID）:2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide
E2B
E2B
表記:3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
組成式:C26 H31 N O3
SMILES:O=C(N)c1cc(ccc1)CC5CC4C3C(c2ccc(O)cc2CC3)CCC4(C)C5O
InChi:InChI=1S/C26H31NO3/c1-26-10-9-21-20-8-6-19(28)13-16(20)5-7-22(21)23(26)14-18(24(26)29)12-15-3-2-4-17(11-15)25(27)30/h2-4,6,8,11,13,18,21-24,28-29H,5,7,9-10,12,14H2,1H3,(H2,27,30)/t18-,21+,22+,23-,24-,26-/m0/s1
定義日:2008-05-01
最終更新日:2011-06-04
識別子（ID）:3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
E2M
E2M
表記:cis-4-{[2-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid
組成式:C29 H29 F6 N O5 S
SMILES:O=C(C=Cc3ccc(Sc2ccccc2OCC1CCC(C(=O)O)CC1)c(c3C(F)(F)F)C(F)(F)F)N4CCOCC4
InChi:InChI=1S/C29H29F6NO5S/c30-28(31,32)25-19(10-12-24(37)36-13-15-40-16-14-36)9-11-23(26(25)29(33,34)35)42-22-4-2-1-3-21(22)41-17-18-5-7-20(8-6-18)27(38)39/h1-4,9-12,18,20H,5-8,13-17H2,(H,38,39)/b12-10+/t18-,20+
定義日:2008-08-07
最終更新日:2011-06-04
識別子（ID）:cis-4-{[2-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid
E36
E36
表記:2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide
組成式:C17 H14 Cl N3 O5 S2
SMILES:O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)CSc2nc4c(n2)cc3OCCOc3c4
InChi:InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24)
定義日:2010-03-30
最終更新日:2011-06-04
識別子（ID）:2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide
E38
E38
表記:5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
組成式:C15 H11 Br Cl N3 O3 S2
SMILES:O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)CSc3nc2cc(Br)ccc2n3
InChi:InChI=1S/C15H11BrClN3O3S2/c16-9-2-4-11-12(6-9)20-15(19-11)24-7-13(21)8-1-3-10(17)14(5-8)25(18,22)23/h1-6H,7H2,(H,19,20)(H2,18,22,23)
定義日:2010-03-22
最終更新日:2011-06-04
識別子（ID）:5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
E3G
E3G
表記:ESTRONE BETA-D-GLUCURONIDE
組成式:C24 H30 O8
SMILES:O=C4C3(C)CCC5c2c(cc(OC1OC(C(=O)O)C(O)C(O)C1O)cc2)CCC5C3CC4
InChi:InChI=1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(14beta)-17-oxoestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
E3O
E3O
表記:(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL
組成式:C18 H24 O3
SMILES:Oc1cc4c(cc1)C3CCC2(C(CC(O)C2O)C3CC4)C
InChi:InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17-,18+/m1/s1
定義日:2006-10-17
最終更新日:2011-06-04
識別子（ID）:(9beta,13alpha,14beta,16alpha,17alpha)-estra-1(10),2,4-triene-3,16,17-triol
E4P
E4P
表記:ERYTHOSE-4-PHOSPHATE
組成式:C4 H9 O7 P
SMILES:O=P(O)(O)OCC(O)C(O)C=O
InChi:InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2R,3R)-2,3-dihydroxy-4-oxobutyl dihydrogen phosphate
E7B
E7B
表記:(2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10R)-10-{(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undec-2-yl}-3,7-dihydroxy-2-methoxy-6-methyl-1-(1-methylethyl)-5-oxoundecyl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid
組成式:C41 H68 O14
SMILES:O=C(O)C(=C(/C(=O)O)C(O)CC(=O)OC(C(C)C)C(OC)C(O)CC(=O)C(C)C(O)CCC(C2OC1(OC(C(CC1)C)CCC(C(=O)C)C)CCC2C)C)C
InChi:InChI=1S/C41H68O14/c1-21(2)36(53-34(47)20-31(45)35(40(50)51)27(8)39(48)49)38(52-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(55-37)17-15-23(4)33(54-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3,(H,48,49)(H,50,51)/b35-27-/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38-,41+/m0/s1
定義日:2008-10-10
最終更新日:2011-06-04
識別子（ID）:(2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10R)-10-{(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undec-2-yl}-3,7-dihydroxy-2-methoxy-6-methyl-1-(1-methylethyl)-5-oxoundecyl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid
E86
E86
表記:4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide
組成式:C24 H22 Cl N5 O2
SMILES:Clc1ccccc1Nc2ncc(c(n2)c4cc(C(=O)NC(c3ccccc3)CO)nc4)C
InChi:InChI=1S/C24H22ClN5O2/c1-15-12-27-24(29-19-10-6-5-9-18(19)25)30-22(15)17-11-20(26-13-17)23(32)28-21(14-31)16-7-3-2-4-8-16/h2-13,21,26,31H,14H2,1H3,(H,28,32)(H,27,29,30)/t21-/m1/s1
定義日:2009-07-09
最終更新日:2011-06-04
識別子（ID）:4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide
E96
E96
表記:4-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZOLE-5-YL}-BENZIMIDAZOLE-2-YL-[4-HYDROXY-BENZENE]
組成式:C26 H18 N4 O2
SMILES:Oc1ccc(cc1)c6nc5ccc(c4cc2c(nc(n2)c3ccc(O)cc3)cc4)cc5n6
InChi:InChI=1S/C26H18N4O2/c31-19-7-1-15(2-8-19)25-27-21-11-5-17(13-23(21)29-25)18-6-12-22-24(14-18)30-26(28-22)16-3-9-20(32)10-4-16/h1-14,31-32H,(H,27,29)(H,28,30)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4,4'-(3H,3'H-5,5'-bibenzimidazole-2,2'-diyl)diphenol
E97
E97
表記:[3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)-PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL-2-YL}-PHENOXY)-PROPYL]-DIMETHYL-AMINE
組成式:C36 H40 N6 O2
SMILES:O(c1ccc(cc1)c6nc5ccc(c4ccc2c(nc(n2)c3ccc(OCCCN(C)C)cc3)c4)cc5n6)CCCN(C)C
InChi:InChI=1S/C36H40N6O2/c1-41(2)19-5-21-43-29-13-7-25(8-14-29)35-37-31-17-11-27(23-33(31)39-35)28-12-18-32-34(24-28)40-36(38-32)26-9-15-30(16-10-26)44-22-6-20-42(3)4/h7-18,23-24H,5-6,19-22H2,1-4H3,(H,37,39)(H,38,40)
定義日:2000-09-14
最終更新日:2011-06-04
識別子（ID）:3,3'-[1H,3'H-5,5'-bibenzimidazole-2,2'-diylbis(benzene-4,1-diyloxy)]bis(N,N-dimethylpropan-1-amine)
EA2
EA2
表記:AMINOETHANOLPYROPHOSPHATE
組成式:C2 H9 N O7 P2
SMILES:O=P(O)(OP(=O)(OCCN)O)O
InChi:InChI=1S/C2H9NO7P2/c3-1-2-9-12(7,8)10-11(4,5)6/h1-3H2,(H,7,8)(H2,4,5,6)
定義日:1999-10-01
最終更新日:2011-06-04
識別子（ID）:2-aminoethyl trihydrogen diphosphate
EAM
EAM
表記:2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
組成式:C22 H22 Cl N5 O2
SMILES:Clc4ccc(C1=NC(c3nnc(n3c2c1cc(OC)cc2)C)CC(=O)NCC)cc4
InChi:InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
定義日:2010-11-07
最終更新日:2011-06-04
識別子（ID）:2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
EAP
EAP
表記:2-AMINO-VINYL-PHOSPHATE
組成式:C2 H6 N O4 P
SMILES:O=P(OC=CN)(O)O
InChi:InChI=1S/C2H6NO4P/c3-1-2-7-8(4,5)6/h1-2H,3H2,(H2,4,5,6)/b2-1+
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(E)-2-aminoethenyl dihydrogen phosphate
EC2
EC2
表記:(2R,3R)-8-CYCLOPROPYL-7-(NAPHTHALEN-1-YLMETHYL)-5-OXO-2-PHENYL-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID
組成式:C28 H23 N O3 S
SMILES:O=C3C=C(C(=C2SC(c1ccccc1)C(N23)C(=O)O)C4CC4)Cc6c5ccccc5ccc6
InChi:InChI=1S/C28H23NO3S/c30-23-16-21(15-20-11-6-10-17-7-4-5-12-22(17)20)24(18-13-14-18)27-29(23)25(28(31)32)26(33-27)19-8-2-1-3-9-19/h1-12,16,18,25-26H,13-15H2,(H,31,32)/t25-,26+/m0/s1
定義日:2010-05-30
最終更新日:2011-06-04
識別子（ID）:(2R,3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

226262

件を2024-10-16に公開中

PDB statisticsPDBj update infoContact PDBjnumon