![I8F I8F](https://data.pdbj.org/pdbjplus/data/cc/svg/I8F.svg) | I8F | 表記: | (2~{S})-2-[[(2~{S})-1-(3-cyclohexylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid | 組成式: | C24 H34 N2 O4 | SMILES: | OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCCN2C(=O)CCC3CCCCC3 | InChi: | InChI=1S/C24H34N2O4/c27-22(15-14-18-9-3-1-4-10-18)26-16-8-7-13-21(26)23(28)25-20(24(29)30)17-19-11-5-2-6-12-19/h2,5-6,11-12,18,20-21H,1,3-4,7-10,13-17H2,(H,25,28)(H,29,30)/t20-,21-/m0/s1 | 定義日: | 2022-06-14 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | (2~{S})-2-[[(2~{S})-1-(3-cyclohexylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid |
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![L7Z L7Z](https://data.pdbj.org/pdbjplus/data/cc/svg/L7Z.svg) | L7Z | 表記: | 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione | 組成式: | C14 H16 O2 | SMILES: | Cc1ccc(CC2(C)C(=O)CCC2=O)cc1 | InChi: | InChI=1S/C14H16O2/c1-10-3-5-11(6-4-10)9-14(2)12(15)7-8-13(14)16/h3-6H,7-9H2,1-2H3 | 定義日: | 2022-11-16 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione |
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![L8U L8U](https://data.pdbj.org/pdbjplus/data/cc/svg/L8U.svg) | L8U | 表記: | 2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone | 組成式: | C8 H6 Br2 O2 | SMILES: | Oc1cc(Br)ccc1C(=O)CBr | InChi: | InChI=1S/C8H6Br2O2/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,11H,4H2 | 定義日: | 2022-11-16 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | 2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone |
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![DYQ DYQ](https://data.pdbj.org/pdbjplus/data/cc/svg/DYQ.svg) | DYQ | 表記: | 1-(3-{[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl}phenyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide | 組成式: | C21 H17 N5 O3 | SMILES: | O=C1N(C)C2CC2C1(O)C#Cc1cc(ccc1)n1nc(c2cccnc21)C(N)=O | InChi: | InChI=1S/C21H17N5O3/c1-25-16-11-15(16)21(29,20(25)28)8-7-12-4-2-5-13(10-12)26-19-14(6-3-9-23-19)17(24-26)18(22)27/h2-6,9-10,15-16,29H,11H2,1H3,(H2,22,27)/t15-,16+,21-/m0/s1 | 定義日: | 2021-12-01 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | 1-(3-{[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl}phenyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide |
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![OFU OFU](https://data.pdbj.org/pdbjplus/data/cc/svg/OFU.svg) | OFU | 表記: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile | 組成式: | C23 H28 N7 O2 S | SMILES: | C[CH](Oc1ccnc(n1)c2noc(n2)[C]3(C)CCCc4sc(N)c(C#N)c34)[CH]5CCC[NH+]5C | InChi: | InChI=1S/C23H27N7O2S/c1-13(15-6-5-11-30(15)3)31-17-8-10-26-20(27-17)21-28-22(32-29-21)23(2)9-4-7-16-18(23)14(12-24)19(25)33-16/h8,10,13,15H,4-7,9,11,25H2,1-3H3/p+1/t13-,15-,23-/m0/s1 | 定義日: | 2022-09-06 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | (4~{S})-2-azanyl-4-methyl-4-[3-[4-[(1~{S})-1-[(2~{S})-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile |
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![06L 06L](https://data.pdbj.org/pdbjplus/data/cc/svg/06L.svg) | 06L | 表記: | Betulinic acid | 組成式: | C30 H48 O3 | SMILES: | CC(=C)[CH]1CC[C]2(CC[C]3(C)[CH](CC[CH]4[C]5(C)CC[CH](O)C(C)(C)[CH]5CC[C]34C)[CH]12)C(O)=O | InChi: | InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1 | 定義日: | 2022-09-28 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | (1~{R},3~{a}~{S},5~{a}~{R},5~{b}~{R},7~{a}~{R},9~{S},11~{a}~{R},11~{b}~{R},13~{a}~{R},13~{b}~{R})-5~{a},5~{b},8,8,11~{a}-pentamethyl-9-oxidanyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7~{a},9,10,11,11~{b},12,13,13~{a},13~{b}-hexadecahydrocyclopenta[a]chrysene-3~{a}-carboxylic acid |
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![06Q 06Q](https://data.pdbj.org/pdbjplus/data/cc/svg/06Q.svg) | 06Q | 表記: | N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide | 組成式: | C34 H35 F N4 O6 | SMILES: | O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](Cc2ccc(F)cc2)NC(=O)c3oc4ccccc4c3)C(=O)NCc5ccccc5 | InChi: | InChI=1S/C34H35FN4O6/c35-25-14-12-21(13-15-25)17-27(39-33(43)29-19-23-9-4-5-11-28(23)45-29)32(42)38-26(18-24-10-6-16-36-31(24)41)30(40)34(44)37-20-22-7-2-1-3-8-22/h1-5,7-9,11-15,19,24,26-27,30,40H,6,10,16-18,20H2,(H,36,41)(H,37,44)(H,38,42)(H,39,43)/t24-,26-,27-,30-/m0/s1 | 定義日: | 2022-09-29 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | ~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide |
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![QAO QAO](https://data.pdbj.org/pdbjplus/data/cc/svg/QAO.svg) | QAO | 表記: | 2-chloro-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]acetamide | 組成式: | C23 H19 Cl2 F6 N3 O2 S | SMILES: | FS(F)(F)(F)(F)c1ccc(cc1)N(C(=O)C(Cl)Cl)C(c1cccnc1)C(=O)NCCc1cccc(F)c1 | InChi: | InChI=1S/C23H19Cl2F6N3O2S/c24-21(25)23(36)34(18-6-8-19(9-7-18)37(27,28,29,30)31)20(16-4-2-11-32-14-16)22(35)33-12-10-15-3-1-5-17(26)13-15/h1-9,11,13-14,20-21H,10,12H2,(H,33,35)/t20-/m1/s1 | 定義日: | 2022-06-03 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | 2,2-dichloro-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]acetamide |
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![IT0 IT0](https://data.pdbj.org/pdbjplus/data/cc/svg/IT0.svg) | IT0 | 表記: | 3-[4-(phenylmethyl)-1,2,3-triazol-1-yl]phthalic acid | 組成式: | C17 H13 N3 O4 | SMILES: | OC(=O)c1cccc(n2cc(Cc3ccccc3)nn2)c1C(O)=O | InChi: | InChI=1S/C17H13N3O4/c21-16(22)13-7-4-8-14(15(13)17(23)24)20-10-12(18-19-20)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,21,22)(H,23,24) | 定義日: | 2022-07-14 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | 3-[4-(phenylmethyl)-1,2,3-triazol-1-yl]phthalic acid |
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![ITK ITK](https://data.pdbj.org/pdbjplus/data/cc/svg/ITK.svg) | ITK | 表記: | [3-[4-(4-methylphenyl)-1,2,3-triazol-1-yl]phenyl]methylphosphonic acid | 組成式: | C16 H16 N3 O3 P | SMILES: | Cc1ccc(cc1)c2cn(nn2)c3cccc(C[P](O)(O)=O)c3 | InChi: | InChI=1S/C16H16N3O3P/c1-12-5-7-14(8-6-12)16-10-19(18-17-16)15-4-2-3-13(9-15)11-23(20,21)22/h2-10H,11H2,1H3,(H2,20,21,22) | 定義日: | 2022-07-14 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | [3-[4-(4-methylphenyl)-1,2,3-triazol-1-yl]phenyl]methylphosphonic acid |
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![IU3 IU3](https://data.pdbj.org/pdbjplus/data/cc/svg/IU3.svg) | IU3 | 表記: | 3-[4-(3-aminophenyl)-1,2,3-triazol-1-yl]phthalic acid | 組成式: | C16 H12 N4 O4 | SMILES: | Nc1cccc(c1)c2cn(nn2)c3cccc(C(O)=O)c3C(O)=O | InChi: | InChI=1S/C16H12N4O4/c17-10-4-1-3-9(7-10)12-8-20(19-18-12)13-6-2-5-11(15(21)22)14(13)16(23)24/h1-8H,17H2,(H,21,22)(H,23,24) | 定義日: | 2022-07-14 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | 3-[4-(3-aminophenyl)-1,2,3-triazol-1-yl]phthalic acid |
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![IU7 IU7](https://data.pdbj.org/pdbjplus/data/cc/svg/IU7.svg) | IU7 | 表記: | 3-[4-[4-(2-azanylethoxy)phenyl]-1,2,3-triazol-1-yl]phthalic acid | 組成式: | C18 H16 N4 O5 | SMILES: | NCCOc1ccc(cc1)c2cn(nn2)c3cccc(C(O)=O)c3C(O)=O | InChi: | InChI=1S/C18H16N4O5/c19-8-9-27-12-6-4-11(5-7-12)14-10-22(21-20-14)15-3-1-2-13(17(23)24)16(15)18(25)26/h1-7,10H,8-9,19H2,(H,23,24)(H,25,26) | 定義日: | 2022-07-14 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | 3-[4-[4-(2-azanylethoxy)phenyl]-1,2,3-triazol-1-yl]phthalic acid |
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![RBR RBR](https://data.pdbj.org/pdbjplus/data/cc/svg/RBR.svg) | RBR | 表記: | rocuronium | 組成式: | C32 H53 N2 O4 | SMILES: | C=CC[N+]1(CCCC1)C1CC2C3CCC4CC(O)C(CC4(C)C3CCC2(C)C1OC(C)=O)N1CCOCC1 | InChi: | InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1 | 定義日: | 2022-10-17 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | 17alpha-(acetyloxy)-3alpha-hydroxy-2beta-(morpholin-4-yl)-16alpha-[1-(prop-2-en-1-yl)pyrrolidin-1-ium-1-yl]-5beta,8alpha,14beta-androstane |
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![RWR RWR](https://data.pdbj.org/pdbjplus/data/cc/svg/RWR.svg) | RWR | 表記: | (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | 組成式: | C25 H30 O4 | SMILES: | Cc1ccc(C2CC2)c(c3ccc4OCCCc4c3)c1[CH](OC(C)(C)C)C(O)=O | InChi: | InChI=1S/C25H30O4/c1-15-7-11-19(16-8-9-16)22(21(15)23(24(26)27)29-25(2,3)4)18-10-12-20-17(14-18)6-5-13-28-20/h7,10-12,14,16,23H,5-6,8-9,13H2,1-4H3,(H,26,27)/t23-/m0/s1 | 定義日: | 2022-12-07 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | (2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
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![0IF 0IF](https://data.pdbj.org/pdbjplus/data/cc/svg/0IF.svg) | 0IF | 表記: | 2-amino-6-fluorobenzonitrile | 組成式: | C7 H5 F N2 | SMILES: | N#Cc1c(F)cccc1N | InChi: | InChI=1S/C7H5FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2 | 定義日: | 2021-06-09 | 最終更新日: | 2023-05-31 | 公開日: | 2023-05-31 | 識別子(ID): | 2-amino-6-fluorobenzonitrile |
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![XKN XKN](https://data.pdbj.org/pdbjplus/data/cc/svg/XKN.svg) | XKN | 表記: | 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride | 組成式: | C30 H29 F N4 O4 S | SMILES: | COc1ccccc1Cn1cnc2cc(ccc12)C(=O)N1CCN(Cc2cc(cc(C#C)c2)S(F)(=O)=O)CC1C | InChi: | InChI=1S/C30H29FN4O4S/c1-4-22-13-23(15-26(14-22)40(31,37)38)18-33-11-12-35(21(2)17-33)30(36)24-9-10-28-27(16-24)32-20-34(28)19-25-7-5-6-8-29(25)39-3/h1,5-10,13-16,20-21H,11-12,17-19H2,2-3H3/t21-/m1/s1 | 定義日: | 2022-11-23 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride |
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![XOF XOF](https://data.pdbj.org/pdbjplus/data/cc/svg/XOF.svg) | XOF | 表記: | 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide | 組成式: | C25 H24 Cl N3 O4 S | SMILES: | CCN(c1ccccc1)S(=O)(=O)c1cc(c(Cl)cc1)C(=O)Nc1ccccc1N1CCCC1=O | InChi: | InChI=1S/C25H24ClN3O4S/c1-2-29(18-9-4-3-5-10-18)34(32,33)19-14-15-21(26)20(17-19)25(31)27-22-11-6-7-12-23(22)28-16-8-13-24(28)30/h3-7,9-12,14-15,17H,2,8,13,16H2,1H3,(H,27,31) | 定義日: | 2022-12-02 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide |
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![WRF WRF](https://data.pdbj.org/pdbjplus/data/cc/svg/WRF.svg) | WRF | 表記: | 1-methyl-4-phenylpyridin-1-ium | 組成式: | C12 H12 N | SMILES: | C[n+]1ccc(cc1)c1ccccc1 | InChi: | InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1 | 定義日: | 2022-10-17 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | 1-methyl-4-phenylpyridin-1-ium |
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![XOL XOL](https://data.pdbj.org/pdbjplus/data/cc/svg/XOL.svg) | XOL | 表記: | (2M)-2-[2-(piperazin-1-yl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide | 組成式: | C21 H20 N6 O S | SMILES: | O=C(Nc1nccs1)c1cccc2[NH]c(nc12)c1ccccc1N1CCNCC1 | InChi: | InChI=1S/C21H20N6OS/c28-20(26-21-23-10-13-29-21)15-5-3-6-16-18(15)25-19(24-16)14-4-1-2-7-17(14)27-11-8-22-9-12-27/h1-7,10,13,22H,8-9,11-12H2,(H,24,25)(H,23,26,28) | 定義日: | 2022-12-03 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | (2M)-2-[2-(piperazin-1-yl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide |
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![WBN WBN](https://data.pdbj.org/pdbjplus/data/cc/svg/WBN.svg) | WBN | 表記: | (3~{R},5~{R})-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-5-oxidanyl-2-oxidanylidene-1-pyridin-2-yl-piperidine-3-carboxamide | 組成式: | C22 H22 N4 O3 S | SMILES: | Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN(C3=O)c4ccccn4)cc2 | InChi: | InChI=1S/C22H22N4O3S/c1-14-20(30-13-25-14)16-7-5-15(6-8-16)11-24-21(28)18-10-17(27)12-26(22(18)29)19-4-2-3-9-23-19/h2-9,13,17-18,27H,10-12H2,1H3,(H,24,28)/t17-,18-/m1/s1 | 定義日: | 2023-05-10 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | (3~{R},5~{R})-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-5-oxidanyl-2-oxidanylidene-1-pyridin-2-yl-piperidine-3-carboxamide |
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![WZW WZW](https://data.pdbj.org/pdbjplus/data/cc/svg/WZW.svg) | WZW | 表記: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[2-azanyl-3-[[(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]imidazol-1-yl]phosphinic acid | 組成式: | C23 H30 N13 O13 P2 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)n4cc[n](c4N)[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)[CH](O)[CH]3O | InChi: | InChI=1S/C23H30N13O13P2/c24-16-10-17(28-5-27-16)33(6-29-10)20-14(39)12(37)8(48-20)3-46-50(42,43)35-1-2-36(23(35)26)51(44,45)47-4-9-13(38)15(40)21(49-9)34-7-30-11-18(34)31-22(25)32-19(11)41/h1-2,5-9,12-15,20-21,37-40H,3-4,26H2,(H,42,43)(H,44,45)(H2,24,27,28)(H3,25,31,32,41)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1 | 定義日: | 2023-05-25 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 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-[2-azanyl-3-[[(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]imidazol-1-yl]phosphinic acid |
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![W15 W15](https://data.pdbj.org/pdbjplus/data/cc/svg/W15.svg) | W15 | 表記: | 2-(2-chloro-6-fluorophenyl)ethan-1-amine | 組成式: | C8 H9 Cl F N | SMILES: | Clc1cccc(F)c1CCN | InChi: | InChI=1S/C8H9ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2 | 定義日: | 2022-08-03 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | 2-(2-chloro-6-fluorophenyl)ethan-1-amine |
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![T7R T7R](https://data.pdbj.org/pdbjplus/data/cc/svg/T7R.svg) | T7R | 表記: | tungsten cofactor | 組成式: | C20 H24 N10 O14 P2 S4 W | SMILES: | NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(O)=O)C4=C3S[W]5(=O)(=O)(S4)SC6=C(S5)[CH]7NC8=C(N[CH]7O[CH]6CO[P](O)(O)=O)N=C(N)NC8=O)C(=O)N1 | InChi: | InChI=1S/2C10H14N5O6PS2.2O.W/c2*11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19 | 別名: | [(5~{a}~{R},8~{R},9~{a}~{R})-2-azanyl-4-oxidanylidene-8-(phosphonooxymethyl)-6-sulfanyl-3,4~{a},5,5~{a},8,9~{a}-hexahydropyrano[3,2-g]pteridin-7-yl]sulfanyl-[[(5~{a}~{R},8~{R},9~{a}~{R})-2-azanyl-4-oxidanylidene-8-(phosphonooxymethyl)-7-sulfanyl-3,5,5~{a},6,7,8,9~{a},10-octahydropyrano[3,2-g]pteridin-6-yl]sulfanyl]-bis($l^{1}-oxidanyl)tungsten | 定義日: | 2022-12-22 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | [(1~{R},1'~{R},10~{R},10'~{R},16~{R},16'~{R})-5,5'-bis(azanyl)-7,7',13,13-tetrakis(oxidanylidene)-16'-(phosphonooxymethyl)-13,13'-spirobi[17-oxa-12,14-dithia-2,4,6,9-tetraza-13$l^{8}-tungstatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4,11(15)-triene]-16-yl]methyl dihydrogen phosphate |
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![GQI GQI](https://data.pdbj.org/pdbjplus/data/cc/svg/GQI.svg) | GQI | 表記: | (2R)-2-azanyl-3-[(E)-(2-oxidanyl-2-oxidanylidene-ethylidene)amino]oxysulfanyl-propanoic acid | 組成式: | C5 H8 N2 O5 S | SMILES: | N[CH](CSON=CC(O)=O)C(O)=O | InChi: | InChI=1S/C5H8N2O5S/c6-3(5(10)11)2-13-12-7-1-4(8)9/h1,3H,2,6H2,(H,8,9)(H,10,11)/b7-1+/t3-/m0/s1 | 定義日: | 2022-05-17 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | (2~{R})-2-azanyl-3-[(~{E})-(2-oxidanyl-2-oxidanylidene-ethylidene)amino]oxysulfanyl-propanoic acid |
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![U30 U30](https://data.pdbj.org/pdbjplus/data/cc/svg/U30.svg) | U30 | 表記: | 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile | 組成式: | C23 H22 N8 O | SMILES: | Cc1c(cccc1c2cc(nc(N)n2)c3cn(Cc4cccc(n4)C(C)(C)O)nn3)C#N | InChi: | InChI=1S/C23H22N8O/c1-14-15(11-24)6-4-8-17(14)18-10-19(28-22(25)27-18)20-13-31(30-29-20)12-16-7-5-9-21(26-16)23(2,3)32/h4-10,13,32H,12H2,1-3H3,(H2,25,27,28) | 定義日: | 2023-01-23 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile |
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