![Q41 Q41](https://data.pdbj.org/pdbjplus/data/cc/svg/Q41.svg) | Q41 | 表記: | 2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium | 組成式: | C30 H32 F N4 O3 | SMILES: | Cn1cc[n+](Cc2cc(c3CCN(Cc4cc(OC)cc(OC)c4)C(=O)c3c2)c2ccc(F)cc2C)c1N | InChi: | InChI=1S/C30H31FN4O3/c1-19-11-22(31)5-6-25(19)27-14-21(18-35-10-9-33(2)30(35)32)15-28-26(27)7-8-34(29(28)36)17-20-12-23(37-3)16-24(13-20)38-4/h5-6,9-16,32H,7-8,17-18H2,1-4H3/p+1 | 定義日: | 2019-09-19 | 最終更新日: | 2024-05-08 | 公開日: | 2020-01-01 | 識別子(ID): | 2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium |
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![QOJ QOJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QOJ.svg) | QOJ | 表記: | 4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium) | 組成式: | C34 H44 N4 | SMILES: | Nc1c2ccccc2[n+](CCCCCCCCCC[n+]2c3ccccc3c(N)c3CCCc23)c2CCCc12 | InChi: | InChI=1S/C34H42N4/c35-33-25-15-7-9-19-29(25)37(31-21-13-17-27(31)33)23-11-5-3-1-2-4-6-12-24-38-30-20-10-8-16-26(30)34(36)28-18-14-22-32(28)38/h7-10,15-16,19-20,35-36H,1-6,11-14,17-18,21-24H2/p+2 | 定義日: | 2019-12-03 | 最終更新日: | 2024-05-08 | 公開日: | 2020-04-01 | 識別子(ID): | 4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium) |
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![3GE 3GE](https://data.pdbj.org/pdbjplus/data/cc/svg/3GE.svg) | 3GE | 表記: | N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine | 組成式: | C9 H15 N O6 S | SMILES: | O=S(O)C(C)(C)C(NC=C(/CO)C=O)C(=O)O | InChi: | InChI=1S/C9H15NO6S/c1-9(2,17(15)16)7(8(13)14)10-3-6(4-11)5-12/h3-4,7,10,12H,5H2,1-2H3,(H,13,14)(H,15,16)/b6-3-/t7-/m0/s1 | 定義日: | 2014-08-15 | 最終更新日: | 2024-05-08 | 公開日: | 2015-01-21 | 識別子(ID): | N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine |
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![BU0 BU0](https://data.pdbj.org/pdbjplus/data/cc/svg/BU0.svg) | BU0 | 表記: | 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide | 組成式: | C27 H25 N5 O2 | SMILES: | CC(NC(=O)c1cc2C(=O)[n+]3ccccc3Nc2[n+](Cc2ccccc2)c1N)c1ccccc1 | InChi: | InChI=1S/C27H23N5O2/c1-18(20-12-6-3-7-13-20)29-26(33)21-16-22-25(30-23-14-8-9-15-31(23)27(22)34)32(24(21)28)17-19-10-4-2-5-11-19/h2-16,18,28H,17H2,1H3,(H,29,33)/p+2/t18-/m0/s1 | 定義日: | 2019-03-07 | 最終更新日: | 2024-05-08 | 公開日: | 2020-02-19 | 識別子(ID): | 2-amino-1-benzyl-5-oxo-3-{[(1S)-1-phenylethyl]carbamoyl}-5,11-dihydrodipyrido[1,2-a:2',3'-d]pyrimidine-1,6-diium |
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![8VV 8VV](https://data.pdbj.org/pdbjplus/data/cc/svg/8VV.svg) | 8VV | 表記: | (1S)-2-{2-[(R)-(2R)-2-amino-2-carboxyethanesulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethan-1-aminium | 組成式: | C12 H21 N4 O5 S | SMILES: | O=S(CC(N)C(=O)O)c1nc(CC(C(=O)O)[N+](C)(C)C)c[NH]1 | InChi: | InChI=1S/C12H20N4O5S/c1-16(2,3)9(11(19)20)4-7-5-14-12(15-7)22(21)6-8(13)10(17)18/h5,8-9H,4,6,13H2,1-3H3,(H2-,14,15,17,18,19,20)/p+1/t8-,9-,22+/m0/s1 | 定義日: | 2017-03-08 | 最終更新日: | 2024-05-08 | 公開日: | 2018-03-07 | 識別子(ID): | (1S)-2-{2-[(R)-(2R)-2-amino-2-carboxyethanesulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethan-1-aminium |
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![8L5 8L5](https://data.pdbj.org/pdbjplus/data/cc/svg/8L5.svg) | 8L5 | 表記: | N-(aminomethyl)-N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucinamide | 組成式: | C16 H27 N4 O5 P | SMILES: | NCNC(=O)C(CC(C)C)NP(=O)(O)CNC(=O)OCc1ccccc1 | InChi: | InChI=1S/C16H27N4O5P/c1-12(2)8-14(15(21)18-10-17)20-26(23,24)11-19-16(22)25-9-13-6-4-3-5-7-13/h3-7,12,14H,8-11,17H2,1-2H3,(H,18,21)(H,19,22)(H2,20,23,24)/t14-/m0/s1 | 定義日: | 2017-02-09 | 最終更新日: | 2024-05-08 | 公開日: | 2017-06-21 | 識別子(ID): | N-(aminomethyl)-N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucinamide |
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![EJA EJA](https://data.pdbj.org/pdbjplus/data/cc/svg/EJA.svg) | EJA | 表記: | S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine | 組成式: | C6 H10 N2 O5 S | SMILES: | NC(CSC(=N/O)CC(O)=O)C(O)=O | InChi: | InChI=1S/C6H10N2O5S/c7-3(6(11)12)2-14-4(8-13)1-5(9)10/h3,13H,1-2,7H2,(H,9,10)(H,11,12)/b8-4-/t3-/m0/s1 | 定義日: | 2018-01-12 | 最終更新日: | 2024-05-08 | 公開日: | 2018-06-06 | 識別子(ID): | S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine |
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![1G1 1G1](https://data.pdbj.org/pdbjplus/data/cc/svg/1G1.svg) | 1G1 | 表記: | N3Phe-Leu-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form | 組成式: | C33 H49 N7 O5 S | SMILES: | NCc1ccc(CC(CCS(C)(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)/N=[N+]=[N-])cc1 | InChi: | InChI=1S/C33H49N7O5S/c1-22(2)17-28(31(41)36-27(15-16-46(5,44)45)19-25-11-13-26(21-34)14-12-25)37-32(42)29(18-23(3)4)38-33(43)30(39-40-35)20-24-9-7-6-8-10-24/h6-14,22-23,27-30H,15-21,34H2,1-5H3,(H,36,41)(H,37,42)(H,38,43)/t27-,28+,29+,30+/m1/s1 | 定義日: | 2013-01-22 | 最終更新日: | 2024-05-08 | 公開日: | 2013-01-25 | 識別子(ID): | N-[(2S)-2-azido-3-phenylpropanoyl]-L-leucyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methanesulfonyl)butan-2-yl]-L-leucinamide |
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![1G6 1G6](https://data.pdbj.org/pdbjplus/data/cc/svg/1G6.svg) | 1G6 | 表記: | N3Phe-Phe(4-NH2CH2)-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form | 組成式: | C37 H50 N8 O5 S | SMILES: | NCc1ccc(CC(CCS(C)(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccc(CN)cc2)NC(=O)C(Cc2ccccc2)N=[N+]=[N-])cc1 | InChi: | InChI=1S/C37H50N8O5S/c1-25(2)19-32(35(46)41-31(17-18-51(3,49)50)20-27-9-13-29(23-38)14-10-27)42-36(47)33(21-28-11-15-30(24-39)16-12-28)43-37(48)34(44-45-40)22-26-7-5-4-6-8-26/h4-16,25,31-34H,17-24,38-39H2,1-3H3,(H,41,46)(H,42,47)(H,43,48)/t31-,32+,33-,34+/m1/s1 | 定義日: | 2013-01-22 | 最終更新日: | 2024-05-08 | 公開日: | 2013-01-25 | 識別子(ID): | 4-(aminomethyl)-N-[(2S)-2-azido-3-phenylpropanoyl]-D-phenylalanyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methanesulfonyl)butan-2-yl]-L-leucinamide |
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![B3D B3D](https://data.pdbj.org/pdbjplus/data/cc/svg/B3D.svg) | B3D | 表記: | 3-AMINOPENTANEDIOIC ACID | 組成式: | C5 H9 N O4 | SMILES: | O=C(O)CC(N)CC(=O)O | InChi: | InChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10) | 別名: | BETA-HOMOASPARTATE | 定義日: | 2007-02-28 | 最終更新日: | 2024-05-07 | 識別子(ID): | 3-aminopentanedioic acid |
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![VE6 VE6](https://data.pdbj.org/pdbjplus/data/cc/svg/VE6.svg) | VE6 | 表記: | 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid | 組成式: | C16 H10 Br N O4 | SMILES: | Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(Br)ccc23 | InChi: | InChI=1S/C16H10BrNO4/c17-9-1-6-14-12(7-9)13(15(20)16(21)22)8-18(14)10-2-4-11(19)5-3-10/h1-8,19H,(H,21,22) | 別名: | 2-(5-bromo-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid | 定義日: | 2021-05-28 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid |
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![ZP2 ZP2](https://data.pdbj.org/pdbjplus/data/cc/svg/ZP2.svg) | ZP2 | 表記: | (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone | 組成式: | C14 H10 F N O6 | SMILES: | COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2cc(O)cc(F)c2 | InChi: | InChI=1S/C14H10FNO6/c1-22-12-5-8(4-11(14(12)19)16(20)21)13(18)7-2-9(15)6-10(17)3-7/h2-6,17,19H,1H3 | 別名: | Pharmacokinetically Improved TTR Binder (PITB) | 定義日: | 2023-06-29 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone |
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![VEO VEO](https://data.pdbj.org/pdbjplus/data/cc/svg/VEO.svg) | VEO | 表記: | 5-methoxy-1H-indole-2-carboxylic acid | 組成式: | C10 H9 N O3 | SMILES: | COc1ccc2[nH]c(cc2c1)C(O)=O | InChi: | InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13) | 定義日: | 2023-03-03 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | 5-methoxy-1~{H}-indole-2-carboxylic acid |
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![KFF KFF](https://data.pdbj.org/pdbjplus/data/cc/svg/KFF.svg) | KFF | 表記: | (3-{(2S,4S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid | 組成式: | C15 H24 N6 O9 P2 | SMILES: | O=C(CCP(=O)(O)O)N1CC(CC1COCCP(=O)(O)O)n1cnc2c1N=C(N)NC2=O | InChi: | InChI=1S/C15H24N6O9P2/c16-15-18-13-12(14(23)19-15)17-8-21(13)9-5-10(7-30-2-4-32(27,28)29)20(6-9)11(22)1-3-31(24,25)26/h8-10H,1-7H2,(H2,24,25,26)(H2,27,28,29)(H3,16,18,19,23)/t9-,10-/m0/s1 | 定義日: | 2023-08-11 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | (3-{(2S,4S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid |
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![U7O U7O](https://data.pdbj.org/pdbjplus/data/cc/svg/U7O.svg) | U7O | 表記: | 5-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,4-dimethyl-3-propan-2-yl-benzimidazol-2-one | 組成式: | C18 H22 N4 O3 | SMILES: | CC(C)N1C(=O)N(C)c2ccc(c(C)c12)C(=O)c3c(C)nn(C)c3O | InChi: | InChI=1S/C18H22N4O3/c1-9(2)22-15-10(3)12(7-8-13(15)20(5)18(22)25)16(23)14-11(4)19-21(6)17(14)24/h7-9,24H,1-6H3 | 定義日: | 2023-05-24 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | 5-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,4-dimethyl-3-propan-2-yl-benzimidazol-2-one |
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![WCW WCW](https://data.pdbj.org/pdbjplus/data/cc/svg/WCW.svg) | WCW | 表記: | 4-azanyl-1-phenyl-piperidine-4-carboxylic acid | 組成式: | C12 H16 N2 O2 | SMILES: | NC1(CCN(CC1)c2ccccc2)C(O)=O | InChi: | InChI=1S/C12H16N2O2/c13-12(11(15)16)6-8-14(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,15,16) | 定義日: | 2023-05-12 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | 4-azanyl-1-phenyl-piperidine-4-carboxylic acid |
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![WD2 WD2](https://data.pdbj.org/pdbjplus/data/cc/svg/WD2.svg) | WD2 | 表記: | 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine | 組成式: | C10 H12 F3 N3 | SMILES: | FC(F)(F)c1ccnc(c1)N2CCNCC2 | InChi: | InChI=1S/C10H12F3N3/c11-10(12,13)8-1-2-15-9(7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2 | 定義日: | 2023-05-12 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine |
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![WD5 WD5](https://data.pdbj.org/pdbjplus/data/cc/svg/WD5.svg) | WD5 | 表記: | 4-(4-chlorophenyl)piperidin-4-ol | 組成式: | C11 H14 Cl N O | SMILES: | OC1(CCNCC1)c2ccc(Cl)cc2 | InChi: | InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2 | 定義日: | 2023-05-12 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | 4-(4-chlorophenyl)piperidin-4-ol |
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![Y6Z Y6Z](https://data.pdbj.org/pdbjplus/data/cc/svg/Y6Z.svg) | Y6Z | 表記: | Antascomicine B | 組成式: | C37 H57 N O10 | SMILES: | C[CH]1CC[CH](OC(=O)[CH]2CCCCN2C(=O)C(=O)[C]3(O)O[CH](CC[CH]3C)[CH](C)C(=O)C=CCCC=C1)[CH](C)C[CH]4CC[CH](O)[CH](O)[CH]4O | InChi: | InChI=1S/C37H57NO10/c1-22-11-7-5-6-8-13-28(39)25(4)31-19-15-24(3)37(46,48-31)34(43)35(44)38-20-10-9-12-27(38)36(45)47-30(18-14-22)23(2)21-26-16-17-29(40)33(42)32(26)41/h7-8,11,13,22-27,29-33,40-42,46H,5-6,9-10,12,14-21H2,1-4H3/b11-7+,13-8+/t22-,23+,24+,25-,26-,27-,29+,30-,31-,32-,33-,37+/m0/s1 | 別名: | (1R,9S,12S,15S,16E,20E,23R,24S,27R)-1-Hydroxy-15,23,27-trimethyl-12-{(2R)-1-[(1S,2S,3S,4R)-2,3,4-trihydroxycyclohexyl]-2-propanyl}-11,28-dioxa-4-azatricyclo[22.3.1.0~4,9~]octacosa-16,20-diene-2,3,10,22-tetrone | 定義日: | 2023-11-23 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | (1~{R},9~{S},12~{S},15~{R},16~{E},20~{E},23~{R},24~{S},27~{R})-15,23,27-trimethyl-1-oxidanyl-12-[(2~{R})-1-[(1~{S},2~{S},3~{S},4~{R})-2,3,4-tris(oxidanyl)cyclohexyl]propan-2-yl]-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacosa-16,20-diene-2,3,10,22-tetrone |
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![YR5 YR5](https://data.pdbj.org/pdbjplus/data/cc/svg/YR5.svg) | YR5 | 表記: | 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid | 組成式: | C15 H16 F N2 O7 P | SMILES: | Oc1c(CNc2cc(cc(F)c2)C(=O)O)c(cnc1C)COP(=O)(O)O | InChi: | InChI=1S/C15H16FN2O7P/c1-8-14(19)13(10(5-17-8)7-25-26(22,23)24)6-18-12-3-9(15(20)21)2-11(16)4-12/h2-5,18-19H,6-7H2,1H3,(H,20,21)(H2,22,23,24) | 定義日: | 2023-12-11 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid |
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![TXJ TXJ](https://data.pdbj.org/pdbjplus/data/cc/svg/TXJ.svg) | TXJ | 表記: | [(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid | 組成式: | C8 H16 N3 O12 P3 | SMILES: | NC1=NC(=O)N(C[CH](CO)OC[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C=C1 | InChi: | InChI=1S/C8H16N3O12P3/c9-7-1-2-11(8(13)10-7)3-6(4-12)21-5-24(14,15)22-26(19,20)23-25(16,17)18/h1-2,6,12H,3-5H2,(H,14,15)(H,19,20)(H2,9,10,13)(H2,16,17,18)/t6-/m0/s1 | 定義日: | 2023-05-10 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | [(2~{S})-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid |
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![V5H V5H](https://data.pdbj.org/pdbjplus/data/cc/svg/V5H.svg) | V5H | 表記: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate | 組成式: | C45 H85 Br4 O19 P3 | SMILES: | OP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)OCC(COC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)C(O)C1OP(=O)(O)O | InChi: | InChI=1S/C45H85Br4O19P3/c1-3-5-7-9-13-19-25-34(46)36(48)27-21-15-11-17-23-29-38(50)63-31-33(65-39(51)30-24-18-12-16-22-28-37(49)35(47)26-20-14-10-8-6-4-2)32-64-71(61,62)68-43-40(52)41(53)44(66-69(55,56)57)45(42(43)54)67-70(58,59)60/h33-37,40-45,52-54H,3-32H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/t33-,34-,35?,36+,37?,40+,41-,42-,43+,44+,45+/m0/s1 | 定義日: | 2023-09-08 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate |
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![ZXT ZXT](https://data.pdbj.org/pdbjplus/data/cc/svg/ZXT.svg) | ZXT | 表記: | 5-(dimethylsulfamoyl)-~{N}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide | 組成式: | C17 H22 N4 O3 S2 | SMILES: | CN(C)[S](=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)Nc3sc(C)cn3 | InChi: | InChI=1S/C17H22N4O3S2/c1-12-11-18-17(25-12)19-16(22)14-10-13(26(23,24)20(2)3)6-7-15(14)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,22) | 定義日: | 2023-07-10 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | 5-(dimethylsulfamoyl)-~{N}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide |
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![JEI JEI](https://data.pdbj.org/pdbjplus/data/cc/svg/JEI.svg) | JEI | 表記: | (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid | 組成式: | C15 H24 N6 O9 P2 | SMILES: | O=C(CCP(=O)(O)O)N1CC(CC1COCCP(=O)(O)O)n1cnc2c1N=C(N)NC2=O | InChi: | InChI=1S/C15H24N6O9P2/c16-15-18-13-12(14(23)19-15)17-8-21(13)9-5-10(7-30-2-4-32(27,28)29)20(6-9)11(22)1-3-31(24,25)26/h8-10H,1-7H2,(H2,24,25,26)(H2,27,28,29)(H3,16,18,19,23)/t9-,10+/m1/s1 | 定義日: | 2023-08-07 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid |
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![JG6 JG6](https://data.pdbj.org/pdbjplus/data/cc/svg/JG6.svg) | JG6 | 表記: | {3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid | 組成式: | C13 H19 N6 O6 P | SMILES: | O=C(CCP(=O)(O)O)N1CC(CC1CO)n1cnc2c1N=C(N)NC2=O | InChi: | InChI=1S/C13H19N6O6P/c14-13-16-11-10(12(22)17-13)15-6-19(11)7-3-8(5-20)18(4-7)9(21)1-2-26(23,24)25/h6-8,20H,1-5H2,(H2,23,24,25)(H3,14,16,17,22)/t7-,8+/m1/s1 | 定義日: | 2023-08-07 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | {3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid |
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