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
YEH
YEH
表記:[(3aS,3bS,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl](6-chloro-9H-carbazol-2-yl)methanone
組成式:C28 H23 Cl N6 O2
SMILES:Clc1cc2c3ccc(cc3[NH]c2cc1)C(=O)N1CC2C(C1)C1CN(CC21)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C28H23ClN6O2/c29-16-3-6-23-18(9-16)17-4-1-14(7-25(17)30-23)27(36)34-10-19-20(11-34)22-13-35(12-21(19)22)28(37)15-2-5-24-26(8-15)32-33-31-24/h1-9,19-22,30H,10-13H2,(H,31,32,33)/t19-,20+,21+,22?/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）:[(3aS,3bS,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl](6-chloro-9H-carbazol-2-yl)methanone
YEL
YEL
表記:5-tert-butyl-2-chloro-4-{[(4S)-7-methyl-8-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]methoxy}benzonitrile
組成式:C19 H21 Cl N4 O2
SMILES:CC(C)(C)c1cc(C#N)c(Cl)cc1OCc1ncc2C(=O)N(C)CCn21
InChi:InChI=1S/C19H21ClN4O2/c1-19(2,3)13-7-12(9-21)14(20)8-16(13)26-11-17-22-10-15-18(25)23(4)5-6-24(15)17/h7-8,10H,5-6,11H2,1-4H3
定義日:2023-06-13
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:5-tert-butyl-2-chloro-4-{[(4S)-7-methyl-8-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]methoxy}benzonitrile
YEU
YEU
表記:(5M)-5-[4-chloro-5-methyl-2-(propan-2-yl)phenyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
組成式:C13 H16 Cl N3 O
SMILES:CC(C)c1cc(Cl)c(C)cc1C1=NNC(=O)N1C
InChi:InChI=1S/C13H16ClN3O/c1-7(2)9-6-11(14)8(3)5-10(9)12-15-16-13(18)17(12)4/h5-7H,1-4H3,(H,16,18)
定義日:2023-06-13
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(5M)-5-[4-chloro-5-methyl-2-(propan-2-yl)phenyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Y1B
Y1B
表記:3-fluoro-4-{[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]sulfanyl}benzoic acid
組成式:C25 H25 F4 N5 O3 S
SMILES:O=C(O)c1ccc(SC2CCN(CC2)C(=O)CCc2ccc(cc2Cn2nc(C)nn2)C(F)(F)F)c(F)c1
InChi:InChI=1S/C25H25F4N5O3S/c1-15-30-32-34(31-15)14-18-12-19(25(27,28)29)5-2-16(18)4-7-23(35)33-10-8-20(9-11-33)38-22-6-3-17(24(36)37)13-21(22)26/h2-3,5-6,12-13,20H,4,7-11,14H2,1H3,(H,36,37)
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-fluoro-4-{[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]sulfanyl}benzoic acid
YF0
YF0
表記:(3,5-dichlorophenyl)methyl (3aS,6aS)-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
組成式:C21 H21 Cl2 N3 O5 S
SMILES:NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2CN(CC2C1)C(=O)OCc1cc(Cl)cc(Cl)c1
InChi:InChI=1S/C21H21Cl2N3O5S/c22-17-5-13(6-18(23)7-17)12-31-21(28)26-10-15-8-25(9-16(15)11-26)20(27)14-1-3-19(4-2-14)32(24,29)30/h1-7,15-16H,8-12H2,(H2,24,29,30)
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 (3aS,6aS)-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Y1F
Y1F
表記:[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone
組成式:C30 H36 N6 O4
SMILES:O=C(c1ccc2[NH]nnc2c1)N1CC2CCN(CCC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1
InChi:InChI=1S/C30H36N6O4/c37-29(21-3-4-25-27(13-21)33-34-32-25)36-16-22-5-9-35(10-6-23(22)17-36)30(38)24-14-26(20-1-2-20)31-28(15-24)40-18-19-7-11-39-12-8-19/h3-4,13-15,19-20,22-23H,1-2,5-12,16-18H2,(H,32,33,34)
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,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone
Y1K
Y1K
表記:4-{(1P)-5'-chloro-6-fluoro-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carbonyl}-1-methylpiperazin-2-one
組成式:C23 H23 Cl F N5 O4
SMILES:O=C1CN(CCN1C)C(=O)c1cc(c2cc(Cl)c(C)cc2OCC2=NNC(=O)N2C)c(F)cc1
InChi:InChI=1S/C23H23ClFN5O4/c1-13-8-19(34-12-20-26-27-23(33)29(20)3)16(10-17(13)24)15-9-14(4-5-18(15)25)22(32)30-7-6-28(2)21(31)11-30/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,27,33)
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-{(1P)-5'-chloro-6-fluoro-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carbonyl}-1-methylpiperazin-2-one
YF9
YF9
表記:(2R)-6-chloro-2-{[6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile
組成式:C19 H18 Cl N5 O3 S
SMILES:O=S(=O)(N1Cc2nc(NC3Cc4cc(Cl)cc(C#N)c4C3)ncc2C1)C1COC1
InChi:InChI=1S/C19H18ClN5O3S/c20-14-1-11-3-15(4-17(11)12(2-14)5-21)23-19-22-6-13-7-25(8-18(13)24-19)29(26,27)16-9-28-10-16/h1-2,6,15-16H,3-4,7-10H2,(H,22,23,24)/t15-/m1/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）:(2R)-6-chloro-2-{[6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile
Y1Q
Y1Q
表記:N-methyl-3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}-N-[2-(4-sulfamoylphenoxy)ethyl]propanamide
組成式:C22 H25 F3 N6 O4 S
SMILES:NS(=O)(=O)c1ccc(cc1)OCCN(C)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F
InChi:InChI=1S/C22H25F3N6O4S/c1-15-27-29-31(28-15)14-17-13-18(22(23,24)25)5-3-16(17)4-10-21(32)30(2)11-12-35-19-6-8-20(9-7-19)36(26,33)34/h3,5-9,13H,4,10-12,14H2,1-2H3,(H2,26,33,34)
定義日:2023-06-09
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:N-methyl-3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}-N-[2-(4-sulfamoylphenoxy)ethyl]propanamide
Y1U
Y1U
表記:3-(2,6-dichlorophenyl)-7-{[(2R)-2-hydroxy-2-phenylethyl]amino}-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
組成式:C21 H19 Cl2 N5 O2
SMILES:Clc1cccc(Cl)c1N1Cc2cnc(nc2N(C)C1=O)NCC(O)c1ccccc1
InChi:InChI=1S/C21H19Cl2N5O2/c1-27-19-14(12-28(21(27)30)18-15(22)8-5-9-16(18)23)10-24-20(26-19)25-11-17(29)13-6-3-2-4-7-13/h2-10,17,29H,11-12H2,1H3,(H,24,25,26)
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-(2,6-dichlorophenyl)-7-{[(2R)-2-hydroxy-2-phenylethyl]amino}-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
YFI
YFI
表記:(2R)-6-chloro-2-{[6-(methanesulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile
組成式:C17 H16 Cl N5 O2 S
SMILES:Clc1cc2CC(Cc2c(C#N)c1)Nc1ncc2CN(Cc2n1)S(C)(=O)=O
InChi:InChI=1S/C17H16ClN5O2S/c1-26(24,25)23-8-12-7-20-17(22-16(12)9-23)21-14-4-10-2-13(18)3-11(6-19)15(10)5-14/h2-3,7,14H,4-5,8-9H2,1H3,(H,20,21,22)/t14-/m1/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）:(2R)-6-chloro-2-{[6-(methanesulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile
YFL
YFL
表記:N-[4-(1H-imidazol-1-yl)butyl]-N-({6-[4-(propan-2-yl)anilino]pyridin-3-yl}methyl)acetamide
組成式:C24 H31 N5 O
SMILES:CC(C)c1ccc(cc1)Nc1ccc(cn1)CN(CCCCn1ccnc1)C(C)=O
InChi:InChI=1S/C24H31N5O/c1-19(2)22-7-9-23(10-8-22)27-24-11-6-21(16-26-24)17-29(20(3)30)14-5-4-13-28-15-12-25-18-28/h6-12,15-16,18-19H,4-5,13-14,17H2,1-3H3,(H,26,27)
定義日:2023-06-13
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:N-[4-(1H-imidazol-1-yl)butyl]-N-({6-[4-(propan-2-yl)anilino]pyridin-3-yl}methyl)acetamide
Y23
Y23
表記:4-({6-chloro-2-[3-(1H-imidazol-5-yl)propanoyl]-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indol-9-yl}methyl)benzonitrile
組成式:C25 H22 Cl N5 O
SMILES:N#Cc1ccc(cc1)Cn1c2ccc(Cl)cc2c2CCN(Cc12)C(=O)CCc1cnc[NH]1
InChi:InChI=1S/C25H22ClN5O/c26-19-5-7-23-22(11-19)21-9-10-30(25(32)8-6-20-13-28-16-29-20)15-24(21)31(23)14-18-3-1-17(12-27)2-4-18/h1-5,7,11,13,16H,6,8-10,14-15H2,(H,28,29)
定義日:2023-06-09
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:4-({6-chloro-2-[3-(1H-imidazol-5-yl)propanoyl]-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indol-9-yl}methyl)benzonitrile
YFO
YFO
表記:2-tert-butyl-6-(4-chlorophenyl)-4-(methanesulfonyl)pyridine
組成式:C16 H18 Cl N O2 S
SMILES:CC(C)(C)c1cc(cc(n1)c1ccc(Cl)cc1)S(C)(=O)=O
InChi:InChI=1S/C16H18ClNO2S/c1-16(2,3)15-10-13(21(4,19)20)9-14(18-15)11-5-7-12(17)8-6-11/h5-10H,1-4H3
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-tert-butyl-6-(4-chlorophenyl)-4-(methanesulfonyl)pyridine
Y29
Y29
表記:2-(4-chloroanilino)-7,9-dimethyl-7,9-dihydro-8H-purin-8-one
組成式:C13 H12 Cl N5 O
SMILES:Clc1ccc(cc1)Nc1ncc2c(n1)N(C)C(=O)N2C
InChi:InChI=1S/C13H12ClN5O/c1-18-10-7-15-12(17-11(10)19(2)13(18)20)16-9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,15,16,17)
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-(4-chloroanilino)-7,9-dimethyl-7,9-dihydro-8H-purin-8-one
YFT
YFT
表記:[3-fluoro-4-(trifluoromethoxy)phenyl]methyl 4-{[(1H-benzotriazole-5-carbonyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate
組成式:C22 H21 F4 N5 O5
SMILES:FC(F)(F)Oc1ccc(cc1F)COC(=O)N1CCC(O)(CC1)CNC(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C22H21F4N5O5/c23-15-9-13(1-4-18(15)36-22(24,25)26)11-35-20(33)31-7-5-21(34,6-8-31)12-27-19(32)14-2-3-16-17(10-14)29-30-28-16/h1-4,9-10,34H,5-8,11-12H2,(H,27,32)(H,28,29,30)
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-fluoro-4-(trifluoromethoxy)phenyl]methyl 4-{[(1H-benzotriazole-5-carbonyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate
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
A1IDV
A1IDV
表記:3-[[(1~{R},4~{Z})-cyclododec-4-en-1-yl]amino]-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide
組成式:C20 H29 F3 N2 O4 S2
SMILES:CC[S](=O)(=O)c1c(F)c(F)c(c(F)c1N[CH]2CCCCCCCC=CCC2)[S](N)(=O)=O
InChi:InChI=1S/C20H29F3N2O4S2/c1-2-30(26,27)20-16(22)15(21)19(31(24,28)29)17(23)18(20)25-14-12-10-8-6-4-3-5-7-9-11-13-14/h6,8,14,25H,2-5,7,9-13H2,1H3,(H2,24,28,29)/b8-6-/t14-/m0/s1
定義日:2024-06-06
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:3-[[(1~{R},4~{Z})-cyclododec-4-en-1-yl]amino]-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide
A1ILU
A1ILU
表記:~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]-~{N}-[4-[(1~{R},3~{R})-3-[[(3~{S})-pyrrolidin-3-yl]carbamoylamino]cyclopentyl]oxyphenyl]propanamide
組成式:C27 H35 Cl N4 O3
SMILES:CCC(=O)N([CH](C)c1ccc(Cl)cc1)c2ccc(O[CH]3CC[CH](C3)NC(=O)N[CH]4CCNC4)cc2
InChi:InChI=1S/C27H35ClN4O3/c1-3-26(33)32(18(2)19-4-6-20(28)7-5-19)23-9-12-24(13-10-23)35-25-11-8-21(16-25)30-27(34)31-22-14-15-29-17-22/h4-7,9-10,12-13,18,21-22,25,29H,3,8,11,14-17H2,1-2H3,(H2,30,31,34)/t18-,21+,22-,25+/m0/s1
定義日:2024-08-20
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]-~{N}-[4-[(1~{R},3~{R})-3-[[(3~{S})-pyrrolidin-3-yl]carbamoylamino]cyclopentyl]oxyphenyl]propanamide
A1ILV
A1ILV
表記:~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)-3-methyl-3-oxidanyl-butyl]propanamide
組成式:C25 H33 Cl N2 O3
SMILES:CCC(=O)N([CH](CC(C)(C)O)c1ccc(Cl)cc1)c2ccc(O[CH]3CC[CH](N)C3)cc2
InChi:InChI=1S/C25H33ClN2O3/c1-4-24(29)28(23(16-25(2,3)30)17-5-7-18(26)8-6-17)20-10-13-21(14-11-20)31-22-12-9-19(27)15-22/h5-8,10-11,13-14,19,22-23,30H,4,9,12,15-16,27H2,1-3H3/t19-,22-,23+/m1/s1
定義日:2024-08-20
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)-3-methyl-3-oxidanyl-butyl]propanamide
A1ILY
A1ILY
表記:~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]propanamide
組成式:C22 H27 Cl N2 O2
SMILES:CCC(=O)N([CH](C)c1ccc(Cl)cc1)c2ccc(O[CH]3CC[CH](N)C3)cc2
InChi:InChI=1S/C22H27ClN2O2/c1-3-22(26)25(15(2)16-4-6-17(23)7-5-16)19-9-12-20(13-10-19)27-21-11-8-18(24)14-21/h4-7,9-10,12-13,15,18,21H,3,8,11,14,24H2,1-2H3/t15?,18-,21+/m0/s1
定義日:2024-08-20
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]propanamide
A1IRY
A1IRY
表記:Mycobactin S
組成式:C46 H70 Fe N5 O10
SMILES:CCCCCCCCCCCCCCCCCC=CC(=O)[N]1CCCC[CH]2NC(=O)[CH]3COC(=N3)c4ccccc4O[Fe+3](O1)O[N]5CCCC[CH](NC(=O)C[CH](C)OC2=O)C5=O
InChi:InChI=1S/C46H71N5O10.Fe/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-42(54)50(58)31-24-23-28-38(48-43(55)39-34-60-44(49-39)36-26-20-21-29-40(36)52)46(57)61-35(2)33-41(53)47-37-27-22-25-32-51(59)45(37)56
別名:[4-[(1-hydroxy-2-oxoazepan-3-yl)amino]-4-oxobutan-2-yl] 6-[hydroxy-[(E)-octadec-2-enoyl]amino]-2-[[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]hexanoate
定義日:2024-10-14
最終更新日:2024-12-13
公開日:2024-12-18
A1IRZ
A1IRZ
表記:(Ribitol-phosphate)3-(CH2)6-NH2
組成式:C21 H48 N O22 P3
SMILES:NCCCCCCO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO
InChi:InChI=1S/C21H48NO22P3/c22-5-3-1-2-4-6-39-45(33,34)40-9-15(26)20(31)16(27)10-43-47(37,38)44-12-18(29)21(32)17(28)11-42-46(35,36)41-8-14(25)19(30)13(24)7-23/h13-21,23-32H,1-12,22H2,(H,33,34)(H,35,36)(H,37,38)/t13-,14+,15+,16-,17-,18+,19-,20+,21-/m0/s1
別名:[(2S,3S,4R)-5-[[(2S,3R,4R)-5-[6-azanylhexoxy(oxidanyl)phosphoryl]oxy-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentyl] [(2R,3S,4S)-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate
定義日:2024-10-15
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:[(2~{S},3~{S},4~{R})-5-[[(2~{S},3~{R},4~{R})-5-[6-azanylhexoxy(oxidanyl)phosphoryl]oxy-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentyl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate
A1L6N
A1L6N
表記:~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]-1~{H}-indole-2-carboxamide
組成式:C25 H26 N4 O4
SMILES:O=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)c3[nH]c4ccccc4c3
InChi:InChI=1S/C25H26N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h1-9,14-15,18-19,21,28H,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1
定義日:2024-12-04
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]-1~{H}-indole-2-carboxamide

243531

件を2025-10-22に公開中

PDB statisticsPDBj update infoContact PDBjnumon