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
YFX
YFX
表記:[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl 2-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
組成式:C24 H27 F4 N5 O4
SMILES:FC(F)(F)COc1ccc(COC(=O)N2CCC3(CC2)CN(C3)C(=O)C2CCc3[NH]nnc3C2)c(F)c1
InChi:InChI=1S/C24H27F4N5O4/c25-18-10-17(37-14-24(26,27)28)3-1-16(18)11-36-22(35)32-7-5-23(6-8-32)12-33(13-23)21(34)15-2-4-19-20(9-15)30-31-29-19/h1,3,10,15H,2,4-9,11-14H2,(H,29,30,31)
定義日:2023-06-13
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl 2-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
Y2H
Y2H
表記:4-[(7-benzyl-9-methyl-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide
組成式:C26 H29 N7 O2
SMILES:CN1CCC(NC(=O)c2ccc(Nc3nc4N(C)C(=O)N(Cc5ccccc5)c4cn3)cc2)CC1
InChi:InChI=1S/C26H29N7O2/c1-31-14-12-21(13-15-31)28-24(34)19-8-10-20(11-9-19)29-25-27-16-22-23(30-25)32(2)26(35)33(22)17-18-6-4-3-5-7-18/h3-11,16,21H,12-15,17H2,1-2H3,(H,28,34)(H,27,29,30)
定義日:2023-06-09
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:4-[(7-benzyl-9-methyl-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide
YG2
YG2
表記:[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl][4-(2,2,2-trifluoroethoxy)quinolin-2-yl]methanone
組成式:C25 H21 F3 N6 O3
SMILES:FC(F)(F)COc1cc(nc2ccccc12)C(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C25H21F3N6O3/c26-25(27,28)13-37-22-8-21(29-18-4-2-1-3-17(18)22)24(36)34-11-15-9-33(10-16(15)12-34)23(35)14-5-6-19-20(7-14)31-32-30-19/h1-8,15-16H,9-13H2,(H,30,31,32)
定義日:2023-06-13
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl][4-(2,2,2-trifluoroethoxy)quinolin-2-yl]methanone
Y2L
Y2L
表記:4-methyl-5-({2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenoxy}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
組成式:C14 H14 F3 N7 O2
SMILES:FC(F)(F)c1cc(Cn2nc(C)nn2)c(cc1)OCC1=NNC(=O)N1C
InChi:InChI=1S/C14H14F3N7O2/c1-8-18-22-24(21-8)6-9-5-10(14(15,16)17)3-4-11(9)26-7-12-19-20-13(25)23(12)2/h3-5H,6-7H2,1-2H3,(H,20,25)
定義日:2023-06-09
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:4-methyl-5-({2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenoxy}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
A1H0C
A1H0C
表記:4-chloranyl-2-(2-naphthalen-1-yloxyethanoylamino)benzoic acid
組成式:C19 H14 Cl N O4
SMILES:OC(=O)c1ccc(Cl)cc1NC(=O)COc2cccc3ccccc23
InChi:InChI=1S/C19H14ClNO4/c20-13-8-9-15(19(23)24)16(10-13)21-18(22)11-25-17-7-3-5-12-4-1-2-6-14(12)17/h1-10H,11H2,(H,21,22)(H,23,24)
定義日:2023-12-15
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:4-chloranyl-2-(2-naphthalen-1-yloxyethanoylamino)benzoic acid
YG6
YG6
表記:1-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-2-{[3,3-dimethyl-6-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]oxy}ethan-1-one
組成式:C31 H39 N5 O3
SMILES:CC(C)c1cc2CCC(C)(C)c2cc1OCC(=O)N1CCC2CN(CC2CC1)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C31H39N5O3/c1-19(2)24-13-20-7-10-31(3,4)25(20)15-28(24)39-18-29(37)35-11-8-22-16-36(17-23(22)9-12-35)30(38)21-5-6-26-27(14-21)33-34-32-26/h5-6,13-15,19,22-23H,7-12,16-18H2,1-4H3,(H,32,33,34)
定義日:2023-06-13
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:1-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-2-{[3,3-dimethyl-6-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]oxy}ethan-1-one
Y2Q
Y2Q
表記:(1H-benzotriazol-5-yl)[(3aR,5r,6aS)-5-[2-(3,5-dichlorophenyl)ethanesulfonyl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]methanone
組成式:C22 H22 Cl2 N4 O3 S
SMILES:Clc1cc(cc(Cl)c1)CCS(=O)(=O)C1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C22H22Cl2N4O3S/c23-17-5-13(6-18(24)10-17)3-4-32(30,31)19-7-15-11-28(12-16(15)8-19)22(29)14-1-2-20-21(9-14)26-27-25-20/h1-2,5-6,9-10,15-16,19H,3-4,7-8,11-12H2,(H,25,26,27)
定義日:2023-06-09
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(1H-benzotriazol-5-yl)[(3aR,5r,6aS)-5-[2-(3,5-dichlorophenyl)ethanesulfonyl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]methanone
YGB
YGB
表記:(3,5-dichlorophenyl)methyl (3aR,5r,6aS)-5-{[(1H-1,2,3-triazol-5-yl)methyl]carbamoyl}hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
組成式:C19 H21 Cl2 N5 O3
SMILES:O=C(NCc1cnn[NH]1)C1CC2CN(CC2C1)C(=O)OCc1cc(Cl)cc(Cl)c1
InChi:InChI=1S/C19H21Cl2N5O3/c20-15-1-11(2-16(21)5-15)10-29-19(28)26-8-13-3-12(4-14(13)9-26)18(27)22-6-17-7-23-25-24-17/h1-2,5,7,12-14H,3-4,6,8-10H2,(H,22,27)(H,23,24,25)/t12?,13-,14?/m0/s1
定義日:2023-06-13
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(3,5-dichlorophenyl)methyl (3aR,5r,6aS)-5-{[(1H-1,2,3-triazol-5-yl)methyl]carbamoyl}hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
Y2U
Y2U
表記:2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}-6-(oxetan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one
組成式:C18 H17 Cl N4 O2
SMILES:Clc1ccc2CC(Cc2c1)Nc1nc2CN(C3COC3)C(=O)c2cn1
InChi:InChI=1S/C18H17ClN4O2/c19-12-2-1-10-4-13(5-11(10)3-12)21-18-20-6-15-16(22-18)7-23(17(15)24)14-8-25-9-14/h1-3,6,13-14H,4-5,7-9H2,(H,20,21,22)/t13-/m0/s1
定義日:2023-06-09
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}-6-(oxetan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one
YGE
YGE
表記:(4-cyano-2-ethoxyphenyl)methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
組成式:C24 H24 N6 O4
SMILES:N#Cc1ccc(COC(=O)N2CC3CN(CC3C2)C(=O)c2cc3nn[NH]c3cc2)c(OCC)c1
InChi:InChI=1S/C24H24N6O4/c1-2-33-22-7-15(9-25)3-4-17(22)14-34-24(32)30-12-18-10-29(11-19(18)13-30)23(31)16-5-6-20-21(8-16)27-28-26-20/h3-8,18-19H,2,10-14H2,1H3,(H,26,27,28)
定義日:2023-06-13
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(4-cyano-2-ethoxyphenyl)methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Y2Z
Y2Z
表記:(1P)-5'-chloro-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]-6-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide
組成式:C19 H16 Cl F3 N4 O4
SMILES:NC(=O)c1cc(c2cc(Cl)c(C)cc2OCC2=NNC(=O)N2C)c(OC(F)(F)F)cc1
InChi:InChI=1S/C19H16ClF3N4O4/c1-9-5-15(30-8-16-25-26-18(29)27(16)2)12(7-13(9)20)11-6-10(17(24)28)3-4-14(11)31-19(21,22)23/h3-7H,8H2,1-2H3,(H2,24,28)(H,26,29)
定義日:2023-06-09
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(1P)-5'-chloro-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]-6-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide
YGT
YGT
表記:(R)-(cyclohexylamino){3-[(3R,4R)-3-{4-[(1R,3R,4R,6R)-6-{[(R)-(cyclohexylamino)(hydroxy)methoxy]methyl}-1-azabicyclo[2.2.2]octan-3-yl]butyl}piperidin-4-yl]propoxy}methanol
組成式:C34 H50 N4 O4
SMILES:O=C(NC1CCCCC1)OCC1CC2CCN1CC2C#CC#CC1CN2CCC1CC2COC(=O)NC1CCCCC1
InChi:InChI=1S/C34H50N4O4/c39-33(35-29-11-3-1-4-12-29)41-23-31-19-25-15-17-37(31)21-27(25)9-7-8-10-28-22-38-18-16-26(28)20-32(38)24-42-34(40)36-30-13-5-2-6-14-30/h25-32H,1-6,11-24H2,(H,35,39)(H,36,40)/t25-,26+,27-,28+,31-,32-/m1/s1
定義日:2023-06-14
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:[(1S,2R,4S,5S)-5-{4-[(1R,3R,4R,6R)-6-{[(cyclohexylcarbamoyl)oxy]methyl}-1-azabicyclo[2.2.2]octan-3-yl]buta-1,3-diyn-1-yl}-1-azabicyclo[2.2.2]octan-2-yl]methyl cyclohexylcarbamate
Y3B
Y3B
表記:[4-cyano-2-(2,2-dimethylpropanamido)phenyl]methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
組成式:C27 H29 N7 O4
SMILES:CC(C)(C)C(=O)Nc1cc(C#N)ccc1COC(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C27H29N7O4/c1-27(2,3)25(36)29-22-8-16(10-28)4-5-18(22)15-38-26(37)34-13-19-11-33(12-20(19)14-34)24(35)17-6-7-21-23(9-17)31-32-30-21/h4-9,19-20H,11-15H2,1-3H3,(H,29,36)(H,30,31,32)
定義日:2023-06-09
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:[4-cyano-2-(2,2-dimethylpropanamido)phenyl]methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Y3F
Y3F
表記:[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl](4-methoxynaphthalen-2-yl)methanone
組成式:C27 H25 N5 O3
SMILES:COc1cc(cc2ccccc21)C(=O)N1CC2C(C1)C1CN(CC21)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C27H25N5O3/c1-35-25-10-17(8-15-4-2-3-5-18(15)25)27(34)32-13-21-19-11-31(12-20(19)22(21)14-32)26(33)16-6-7-23-24(9-16)29-30-28-23/h2-10,19-22H,11-14H2,1H3,(H,28,29,30)/t19-,20+,21+,22-
定義日:2023-06-09
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl](4-methoxynaphthalen-2-yl)methanone
Y3K
Y3K
表記:6-[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carbonyl]-1-methyl-1,3-dihydro-2H-benzimidazol-2-one
組成式:C32 H39 N5 O5
SMILES:O=C1Nc2ccc(cc2N1C)C(=O)N1CC2CCN(CCC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1
InChi:InChI=1S/C32H39N5O5/c1-35-28-15-22(4-5-26(28)34-32(35)40)30(38)37-17-23-6-10-36(11-7-24(23)18-37)31(39)25-14-27(21-2-3-21)33-29(16-25)42-19-20-8-12-41-13-9-20/h4-5,14-16,20-21,23-24H,2-3,6-13,17-19H2,1H3,(H,34,40)
定義日:2023-06-09
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:6-[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carbonyl]-1-methyl-1,3-dihydro-2H-benzimidazol-2-one
ZIB
ZIB
表記:1-[(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-[4-(trifluoromethoxy)phenoxy]ethan-1-one
組成式:C22 H20 F3 N5 O4
SMILES:FC(F)(F)Oc1ccc(cc1)OCC(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C22H20F3N5O4/c23-22(24,25)34-17-4-2-16(3-5-17)33-12-20(31)29-8-14-10-30(11-15(14)9-29)21(32)13-1-6-18-19(7-13)27-28-26-18/h1-7,14-15H,8-12H2,(H,26,27,28)/t14-,15-/m1/s1
定義日:2023-06-23
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:1-[(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-[4-(trifluoromethoxy)phenoxy]ethan-1-one
ZIF
ZIF
表記:(8R)-3-(4-chlorophenyl)-5-methyl-N-{[(2R)-oxolan-2-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
組成式:C18 H19 Cl N4 O
SMILES:Clc1ccc(cc1)c1cnn2c(NCC3CCCO3)cc(C)nc21
InChi:InChI=1S/C18H19ClN4O/c1-12-9-17(20-10-15-3-2-8-24-15)23-18(22-12)16(11-21-23)13-4-6-14(19)7-5-13/h4-7,9,11,15,20H,2-3,8,10H2,1H3/t15-/m1/s1
定義日:2023-06-23
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(8R)-3-(4-chlorophenyl)-5-methyl-N-{[(2R)-oxolan-2-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
Y3Q
Y3Q
表記:6-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}pyridazin-3(2H)-one
組成式:C15 H17 Cl N2 O2
SMILES:CC(C)c1cc(Cl)c(C)cc1OCC=1C=CC(=O)NN=1
InChi:InChI=1S/C15H17ClN2O2/c1-9(2)12-7-13(16)10(3)6-14(12)20-8-11-4-5-15(19)18-17-11/h4-7,9H,8H2,1-3H3,(H,18,19)
定義日:2023-06-09
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:6-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}pyridazin-3(2H)-one
Y3W
Y3W
表記:3-(2-hydroxy-4,6-dimethylphenyl)-3-methylbutyl 2,2-dimethylpropanoate
組成式:C18 H28 O3
SMILES:Oc1cc(C)cc(C)c1C(C)(C)CCOC(=O)C(C)(C)C
InChi:InChI=1S/C18H28O3/c1-12-10-13(2)15(14(19)11-12)18(6,7)8-9-21-16(20)17(3,4)5/h10-11,19H,8-9H2,1-7H3
定義日:2023-06-09
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:3-(2-hydroxy-4,6-dimethylphenyl)-3-methylbutyl 2,2-dimethylpropanoate
ZIS
ZIS
表記:[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl 2-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
組成式:C24 H27 F4 N5 O4
SMILES:FC(F)(F)COc1ccc(COC(=O)N2CCC3(CC2)CN(C3)C(=O)C2CCc3[NH]nnc3C2)c(F)c1
InChi:InChI=1S/C24H27F4N5O4/c25-18-10-17(37-14-24(26,27)28)3-1-16(18)11-36-22(35)32-7-5-23(6-8-32)12-33(13-23)21(34)15-2-4-19-20(9-15)30-31-29-19/h1,3,10,15H,2,4-9,11-14H2,(H,29,30,31)/t15-/m1/s1
定義日:2023-06-23
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl 2-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
Y40
Y40
表記:[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][4-(2-methoxyethoxy)quinolin-2-yl]methanone
組成式:C28 H28 N6 O4
SMILES:COCCOc1cc(nc2ccccc12)C(=O)N1CC2C3CN(CC3C2C1)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C28H28N6O4/c1-37-8-9-38-26-11-25(29-22-5-3-2-4-17(22)26)28(36)34-14-20-18-12-33(13-19(18)21(20)15-34)27(35)16-6-7-23-24(10-16)31-32-30-23/h2-7,10-11,18-21H,8-9,12-15H2,1H3,(H,30,31,32)
定義日:2023-06-09
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][4-(2-methoxyethoxy)quinolin-2-yl]methanone
ZIW
ZIW
表記:N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
組成式:C18 H19 Cl N4 O3 S
SMILES:O=S(=O)(N1Cc2nc(NC3Cc4ccc(Cl)cc4C3)ncc2C1)C1COC1
InChi:InChI=1S/C18H19ClN4O3S/c19-14-2-1-11-4-15(5-12(11)3-14)21-18-20-6-13-7-23(8-17(13)22-18)27(24,25)16-9-26-10-16/h1-3,6,15-16H,4-5,7-10H2,(H,20,21,22)/t15-/m0/s1
定義日:2023-06-23
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
XQR
XQR
表記:S-(4-sulfamoylphenyl) 4-{[4-(trifluoromethyl)phenyl]methyl}-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbothioate
組成式:C22 H19 F3 N4 O3 S2
SMILES:FC(F)(F)c1ccc(cc1)Cc1ncnc2CCN(Cc12)C(=O)Sc1ccc(cc1)S(N)(=O)=O
InChi:InChI=1S/C22H19F3N4O3S2/c23-22(24,25)15-3-1-14(2-4-15)11-20-18-12-29(10-9-19(18)27-13-28-20)21(30)33-16-5-7-17(8-6-16)34(26,31)32/h1-8,13H,9-12H2,(H2,26,31,32)
定義日:2023-06-08
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:S-(4-sulfamoylphenyl) 4-{[4-(trifluoromethyl)phenyl]methyl}-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbothioate
Y4C
Y4C
表記:N~1~-(4-butylphenyl)-N~2~-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}ethanediamide
組成式:C25 H34 N4 O4 S
SMILES:O=S(=O)(c1ccc(C)cc1)N1CCN(CCNC(=O)C(=O)Nc2ccc(CCCC)cc2)CC1
InChi:InChI=1S/C25H34N4O4S/c1-3-4-5-21-8-10-22(11-9-21)27-25(31)24(30)26-14-15-28-16-18-29(19-17-28)34(32,33)23-12-6-20(2)7-13-23/h6-13H,3-5,14-19H2,1-2H3,(H,26,30)(H,27,31)
定義日:2023-06-11
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:N~1~-(4-butylphenyl)-N~2~-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}ethanediamide
XQW
XQW
表記:4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazine-1-sulfonyl]benzene-1-sulfonamide
組成式:C23 H26 F3 N7 O5 S2
SMILES:NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F
InChi:InChI=1S/C23H26F3N7O5S2/c1-16-28-30-33(29-16)15-18-14-19(23(24,25)26)4-2-17(18)3-9-22(34)31-10-12-32(13-11-31)40(37,38)21-7-5-20(6-8-21)39(27,35)36/h2,4-8,14H,3,9-13,15H2,1H3,(H2,27,35,36)
定義日:2023-06-08
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazine-1-sulfonyl]benzene-1-sulfonamide

243911

件を2025-10-29に公開中

PDB statisticsPDBj update infoContact PDBjnumon