Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
A1CC9
A1CC9
表記:[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(3~{S},4~{S},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
組成式:C18 H26 N4 O23 P4
SMILES:O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)N4C=CC(=O)NC4=O
InChi:InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8?,11-,12?,13-,14?,15-,16?/m1/s1
定義日:2025-05-19
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(3~{S},4~{S},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
A1CCP
A1CCP
表記:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[[[(3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methyl]phosphinic acid
組成式:C21 H30 N10 O18 P4
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(=O)O[P](O)(=O)OCC4OC(C(O)C4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O
InChi:InChI=1S/C21H30N10O18P4/c22-16-10-18(26-3-24-16)30(5-28-10)20-14(34)12(32)8(46-20)1-44-52(40,41)48-50(36,37)7-51(38,39)49-53(42,43)45-2-9-13(33)15(35)21(47-9)31-6-29-11-17(23)25-4-27-19(11)31/h3-6,8-9,12-15,20-21,32-35H,1-2,7H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,22,24,26)(H2,23,25,27)/t8-,9?,12-,13?,14-,15?,20-,21?/m1/s1
定義日:2025-05-14
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[[[(3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methyl]phosphinic acid
A1CD7
A1CD7
表記:advantame
組成式:C24 H30 N2 O7
SMILES:Oc1cc(ccc1OC)CCCNC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)OC
InChi:InChI=1S/C24H30N2O7/c1-32-21-11-10-17(14-20(21)27)9-6-12-25-18(15-22(28)29)23(30)26-19(24(31)33-2)13-16-7-4-3-5-8-16/h3-5,7-8,10-11,14,18-19,25,27H,6,9,12-13,15H2,1-2H3,(H,26,30)(H,28,29)/t18-,19-/m0/s1
別名:methyl N-[3-(3-hydroxy-4-methoxyphenyl)propyl]-L-alpha-aspartyl-L-phenylalaninate
定義日:2025-05-26
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:methyl N-[3-(3-hydroxy-4-methoxyphenyl)propyl]-L-alpha-aspartyl-L-phenylalaninate
A1EKV
A1EKV
表記:3-[bis(fluoranyl)methyl]-~{N}-cyclopropyl-~{N}-[2-(2,4-dichlorophenyl)prop-2-enyl]-5-fluoranyl-1-methyl-pyrazole-4-carboxamide
組成式:C18 H16 Cl2 F3 N3 O
SMILES:Cn1nc(C(F)F)c(c1F)C(=O)N(CC(=C)c2ccc(Cl)cc2Cl)C3CC3
InChi:InChI=1S/C18H16Cl2F3N3O/c1-9(12-6-3-10(19)7-13(12)20)8-26(11-4-5-11)18(27)14-15(16(21)22)24-25(2)17(14)23/h3,6-7,11,16H,1,4-5,8H2,2H3
定義日:2025-01-26
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:3-[bis(fluoranyl)methyl]-~{N}-cyclopropyl-~{N}-[2-(2,4-dichlorophenyl)prop-2-enyl]-5-fluoranyl-1-methyl-pyrazole-4-carboxamide
A1H4U
A1H4U
表記:3-[2-[2-(cyclopropylamino)pyrimidin-5-yl]ethynyl]-~{N}-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-benzamide
組成式:C27 H21 F3 N6 O
SMILES:Cc1ccc(cc1C#Cc2cnc(NC3CC3)nc2)C(=O)Nc4cc(cc(c4)C(F)(F)F)n5ccnc5
InChi:InChI=1S/C27H21F3N6O/c1-17-2-4-20(10-19(17)5-3-18-14-32-26(33-15-18)35-22-6-7-22)25(37)34-23-11-21(27(28,29)30)12-24(13-23)36-9-8-31-16-36/h2,4,8-16,22H,6-7H2,1H3,(H,34,37)(H,32,33,35)
定義日:2024-02-16
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:3-[2-[2-(cyclopropylamino)pyrimidin-5-yl]ethynyl]-~{N}-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-benzamide
A1I1Y
A1I1Y
表記:~{N}-[5-(3,5-dicyano-1,2,6-trimethyl-4~{H}-pyridin-4-yl)-6-fluoranyl-7-methyl-1~{H}-indazol-3-yl]-2-ethyl-benzamide
組成式:C27 H25 F N6 O
SMILES:CCc1ccccc1C(=O)Nc2n[nH]c3c(C)c(F)c(cc23)C4C(=C(C)N(C)C(=C4C#N)C)C#N
InChi:InChI=1S/C27H25FN6O/c1-6-17-9-7-8-10-18(17)27(35)31-26-20-11-19(24(28)14(2)25(20)32-33-26)23-21(12-29)15(3)34(5)16(4)22(23)13-30/h7-11,23H,6H2,1-5H3,(H2,31,32,33,35)
定義日:2025-02-14
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:~{N}-[5-(3,5-dicyano-1,2,6-trimethyl-4~{H}-pyridin-4-yl)-6-fluoranyl-7-methyl-1~{H}-indazol-3-yl]-2-ethyl-benzamide
A1I5A
A1I5A
表記:quinaprilat
組成式:C23 H26 N2 O5
SMILES:C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2Cc3ccccc3C[CH]2C(O)=O
InChi:InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1
別名:(3S)-2-[(2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
定義日:2025-03-03
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:(3~{S})-2-[(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,4-dihydro-1~{H}-isoquinoline-3-carboxylic acid
A1I9U
A1I9U
表記:(2~{S},4~{a}~{S},6~{R},7~{S},8~{R},8~{a}~{R})-2-methyl-6,7,8-tris(oxidanyl)-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
組成式:C9 H14 O8
SMILES:C[C]1(OC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O1)C(O)=O
InChi:InChI=1S/C9H14O8/c1-9(8(13)14)15-2-3-6(17-9)4(10)5(11)7(12)16-3/h3-7,10-12H,2H2,1H3,(H,13,14)/t3-,4+,5-,6-,7+,9-/m0/s1
定義日:2025-04-03
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:(2~{S},4~{a}~{S},6~{R},7~{S},8~{R},8~{a}~{R})-2-methyl-6,7,8-tris(oxidanyl)-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
A1IEF
A1IEF
表記:1-[[(2~{S})-1-[4-[ethyl(pyridin-4-ylmethyl)amino]-6-methyl-pyrimidin-2-yl]pyrrolidin-2-yl]methyl]urea
組成式:C19 H27 N7 O
SMILES:CCN(Cc1ccncc1)c2cc(C)nc(n2)N3CCC[CH]3CNC(N)=O
InChi:InChI=1S/C19H27N7O/c1-3-25(13-15-6-8-21-9-7-15)17-11-14(2)23-19(24-17)26-10-4-5-16(26)12-22-18(20)27/h6-9,11,16H,3-5,10,12-13H2,1-2H3,(H3,20,22,27)/t16-/m0/s1
定義日:2024-06-13
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:1-[[(2~{S})-1-[4-[ethyl(pyridin-4-ylmethyl)amino]-6-methyl-pyrimidin-2-yl]pyrrolidin-2-yl]methyl]urea
A1IF9
A1IF9
表記:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
組成式:C20 H28 N10 O20 P4
SMILES:NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O
InChi:InChI=1S/C20H28N10O20P4/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(46-18)1-44-51(36,37)48-53(40,41)50-54(42,43)49-52(38,39)45-2-7-11(32)13(34)19(47-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
定義日:2024-06-27
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
A1IFS
A1IFS
表記:(2S)-1-[4-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide
組成式:C17 H27 N5 O3 S
SMILES:CNC(=O)[CH]1CCCN1c2nc(C)cc(n2)N(C)C[CH]3CC[S](=O)(=O)C3
InChi:InChI=1S/C17H27N5O3S/c1-12-9-15(21(3)10-13-6-8-26(24,25)11-13)20-17(19-12)22-7-4-5-14(22)16(23)18-2/h9,13-14H,4-8,10-11H2,1-3H3,(H,18,23)/t13-,14+/m1/s1
定義日:2024-06-26
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:(2~{S})-1-[4-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-~{N}-methyl-pyrrolidine-2-carboxamide
A1IMO
A1IMO
表記:7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)oxy-purine-2,6-dione
組成式:C25 H34 Cl N5 O5
SMILES:CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(OC4CC(C)(C)N(O)C(C)(C)C4)nc12
InChi:InChI=1S/C25H34ClN5O5/c1-24(2)13-18(14-25(3,4)31(24)35)36-22-27-20-19(30(22)15-16-7-9-17(26)10-8-16)21(33)29(11-6-12-32)23(34)28(20)5/h7-10,18,32,35H,6,11-15H2,1-5H3
定義日:2024-08-27
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)oxy-purine-2,6-dione
A1IS9
A1IS9
表記:Sonepiprazole
組成式:C21 H27 N3 O3 S
SMILES:N[S](=O)(=O)c1ccc(cc1)N2CCN(CC[CH]3OCCc4ccccc34)CC2
InChi:InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m0/s1
別名:4-[4-[2-[(1S})-3,4-dihydro-1H-isochromen-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide
定義日:2024-10-29
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:4-[4-[2-[(1~{S})-3,4-dihydro-1~{H}-isochromen-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide
A1IX2
A1IX2
表記:1-[3-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]phenyl]piperidine-4-carboxylic acid
組成式:C20 H28 N2 O4
SMILES:OC(=O)C1CCN(CC1)c2cccc(OCC(=O)NC3CCCCC3)c2
InChi:InChI=1S/C20H28N2O4/c23-19(21-16-5-2-1-3-6-16)14-26-18-8-4-7-17(13-18)22-11-9-15(10-12-22)20(24)25/h4,7-8,13,15-16H,1-3,5-6,9-12,14H2,(H,21,23)(H,24,25)
定義日:2025-01-07
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:1-[3-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]phenyl]piperidine-4-carboxylic acid
A1IX3
A1IX3
表記:3-[7-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid
組成式:C22 H27 N O4
SMILES:OC(=O)CCc1ccc2ccc(OCC(=O)NC3CCCCCC3)cc2c1
InChi:InChI=1S/C22H27NO4/c24-21(23-19-5-3-1-2-4-6-19)15-27-20-11-10-17-9-7-16(8-12-22(25)26)13-18(17)14-20/h7,9-11,13-14,19H,1-6,8,12,15H2,(H,23,24)(H,25,26)
定義日:2025-01-07
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:3-[7-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid
A1IXY
A1IXY
表記:(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid
組成式:C28 H29 N O6
SMILES:OC(=O)C[CH](c1ccc2OCOc2c1)c3ccc4ccc(OCC(=O)NC5CCCCC5)cc4c3
InChi:InChI=1S/C28H29NO6/c30-27(29-22-4-2-1-3-5-22)16-33-23-10-8-18-6-7-19(12-21(18)13-23)24(15-28(31)32)20-9-11-25-26(14-20)35-17-34-25/h6-14,22,24H,1-5,15-17H2,(H,29,30)(H,31,32)/t24-/m0/s1
定義日:2025-01-07
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid
A1IXZ
A1IXZ
表記:(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-[[(1~{R})-cyclohex-2-en-1-yl]amino]-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid
組成式:C28 H27 N O6
SMILES:OC(=O)C[CH](c1ccc2OCOc2c1)c3ccc4ccc(OCC(=O)N[CH]5CCCC=C5)cc4c3
InChi:InChI=1S/C28H27NO6/c30-27(29-22-4-2-1-3-5-22)16-33-23-10-8-18-6-7-19(12-21(18)13-23)24(15-28(31)32)20-9-11-25-26(14-20)35-17-34-25/h2,4,6-14,22,24H,1,3,5,15-17H2,(H,29,30)(H,31,32)/t22-,24-/m0/s1
定義日:2025-01-07
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-[[(1~{R})-cyclohex-2-en-1-yl]amino]-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid
A1JME
A1JME
表記:Castasterone
組成式:C28 H48 O5
SMILES:CC(C)[CH](C)[CH](O)[CH](O)[CH](C)[CH]1CC[CH]2[CH]3CC(=O)[CH]4C[CH](O)[CH](O)C[C]4(C)[CH]3CC[C]12C
InChi:InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1
別名:(2~{R},3~{S},5~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3-bis(oxidanyl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
定義日:2025-08-06
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:(2~{R},3~{S},5~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3-bis(oxidanyl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
A1JMF
A1JMF
表記:Typhasterol
組成式:C28 H48 O4
SMILES:CC(C)[CH](C)[CH](O)[CH](O)[CH](C)[CH]1CC[CH]2[CH]3CC(=O)[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
InChi:InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21+,22-,23+,25+,26+,27+,28+/m0/s1
別名:(3~{R},5~{S},8~{S},9~{S},10~{R},13~{S},14~{R},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
定義日:2025-08-06
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:(3~{R},5~{S},8~{S},9~{S},10~{R},13~{S},14~{R},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
A1JMI
A1JMI
表記:6-deoxocastasterone
組成式:C28 H50 O4
SMILES:CC(C)[CH](C)[CH](O)[CH](O)[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)[CH](O)C[C]4(C)[CH]3CC[C]12C
InChi:InChI=1S/C28H50O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15-26,29-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23-,24+,25+,26+,27+,28-/m0/s1
別名:(2~{R},3~{S},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthrene-2,3-diol
定義日:2025-08-06
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:(2~{R},3~{S},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthrene-2,3-diol
A1L5T
A1L5T
表記:(7~{S})-2-azanyl-7-(4-fluorophenyl)-6,7-dihydro-4~{H}-[1,3]thiazolo[4,5-b]pyridin-5-one
組成式:C12 H10 F N3 O S
SMILES:Nc1sc2[CH](CC(=O)Nc2n1)c3ccc(F)cc3
InChi:InChI=1S/C12H10FN3OS/c13-7-3-1-6(2-4-7)8-5-9(17)15-11-10(8)18-12(14)16-11/h1-4,8H,5H2,(H2,14,16)(H,15,17)/t8-/m0/s1
定義日:2024-11-13
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:(7~{S})-2-azanyl-7-(4-fluorophenyl)-6,7-dihydro-4~{H}-[1,3]thiazolo[4,5-b]pyridin-5-one
A1L65
A1L65
表記:6-cyclopropyl-4-[(1~{S},4~{S})-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoranyl-5-methyl-1~{H}-indazol-4-yl)-2-(oxan-4-yloxy)-8-phenylmethoxy-quinazoline
組成式:C36 H37 F N6 O3
SMILES:Cc1c(F)cc2[nH]ncc2c1c3c(cc4c(nc(OC5CCOCC5)nc4c3OCc6ccccc6)N7C[CH]8C[CH]7CN8)C9CC9
InChi:InChI=1S/C36H37FN6O3/c1-20-29(37)15-30-28(17-39-42-30)31(20)32-26(22-7-8-22)14-27-33(34(32)45-19-21-5-3-2-4-6-21)40-36(46-25-9-11-44-12-10-25)41-35(27)43-18-23-13-24(43)16-38-23/h2-6,14-15,17,22-25,38H,7-13,16,18-19H2,1H3,(H,39,42)/t23-,24-/m0/s1
定義日:2024-12-25
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:6-cyclopropyl-4-[(1~{S},4~{S})-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoranyl-5-methyl-1~{H}-indazol-4-yl)-2-(oxan-4-yloxy)-8-phenylmethoxy-quinazoline
6IM
6IM
表記:acetylamino coenzyme A
組成式:C23 H39 N8 O17 P3
SMILES:CC(=O)NCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
InChi:InChI=1S/C23H39N8O17P3/c1-12(32)25-6-7-26-14(33)4-5-27-21(36)18(35)23(2,3)9-45-51(42,43)48-50(40,41)44-8-13-17(47-49(37,38)39)16(34)22(46-13)31-11-30-15-19(24)28-10-29-20(15)31/h10-11,13,16-18,22,34-35H,4-9H2,1-3H3,(H,25,32)(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,24,28,29)(H2,37,38,39)/t13-,16-,17-,18+,22-/m1/s1
別名:(3R)-4-({3-[(2-acetamidoethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
定義日:2021-08-09
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:(3R)-4-({3-[(2-acetamidoethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
EI2
EI2
表記:1-{4-[4-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindol-2-yl}propan-1-one
組成式:C18 H17 F3 N2 O
SMILES:FC(F)(F)c1ccc(cc1)Nc1cccc2CN(Cc21)C(=O)CC
InChi:InChI=1S/C18H17F3N2O/c1-2-17(24)23-10-12-4-3-5-16(15(12)11-23)22-14-8-6-13(7-9-14)18(19,20)21/h3-9,22H,2,10-11H2,1H3
別名:1-{4-[4-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindol-2-yl}prop-2-en-1-one, bound form
定義日:2021-12-06
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:1-{4-[4-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindol-2-yl}propan-1-one
EI6
EI6
表記:1-{(3aS,4R,7aR)-4-[4-(trifluoromethyl)anilino]octahydro-2H-isoindol-2-yl}propan-1-one
組成式:C18 H23 F3 N2 O
SMILES:FC(F)(F)c1ccc(cc1)NC1CCCC2CN(CC21)C(=O)CC
InChi:InChI=1S/C18H23F3N2O/c1-2-17(24)23-10-12-4-3-5-16(15(12)11-23)22-14-8-6-13(7-9-14)18(19,20)21/h6-9,12,15-16,22H,2-5,10-11H2,1H3/t12-,15+,16+/m0/s1
別名:1-{(3aS,4R,7aR)-4-[4-(trifluoromethyl)anilino]octahydro-2H-isoindol-2-yl}prop-2-en-1-one, bound form
定義日:2021-12-06
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:1-{(3aS,4R,7aR)-4-[4-(trifluoromethyl)anilino]octahydro-2H-isoindol-2-yl}propan-1-one

243531

件を2025-10-22に公開中

PDB statisticsPDBj update infoContact PDBjnumon