![TQA TQA](https://data.pdbj.org/pdbjplus/data/cc/svg/TQA.svg) | TQA | 表記: | N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide | 組成式: | C33 H28 N6 O3 S | SMILES: | c6cc5C(=O)N(Cc4ccccc4C(Nc1cc(ccc1)c2nc(SC)nc2c3ccnc(c3)NC(C)=O)=O)Cc5cc6 | InChi: | InChI=1S/C33H28N6O3S/c1-20(40)35-28-17-22(14-15-34-28)30-29(37-33(38-30)43-2)21-10-7-11-25(16-21)36-31(41)26-12-5-3-8-23(26)18-39-19-24-9-4-6-13-27(24)32(39)42/h3-17H,18-19H2,1-2H3,(H,36,41)(H,37,38)(H,34,35,40) | 定義日: | 2020-03-26 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide |
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![TQM TQM](https://data.pdbj.org/pdbjplus/data/cc/svg/TQM.svg) | TQM | 表記: | {5-(3-fluorophenyl)-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}acetic acid | 組成式: | C22 H13 F O3 S | SMILES: | c31cc(ccc1oc(C#Cc2cccs2)c3CC(=O)O)c4cccc(c4)F | InChi: | InChI=1S/C22H13FO3S/c23-16-4-1-3-14(11-16)15-6-8-20-18(12-15)19(13-22(24)25)21(26-20)9-7-17-5-2-10-27-17/h1-6,8,10-12H,13H2,(H,24,25) | 定義日: | 2020-03-30 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | {5-(3-fluorophenyl)-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}acetic acid |
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![GTU GTU](https://data.pdbj.org/pdbjplus/data/cc/svg/GTU.svg) | GTU | 表記: | N-[3-[(4R)-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide | 組成式: | C20 H16 F N5 O2 | SMILES: | CC#C[C]1(CCOC(=N1)N)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F | InChi: | InChI=1S/C20H16FN5O2/c1-2-7-20(8-9-28-19(23)26-20)15-10-14(4-5-16(15)21)25-18(27)17-6-3-13(11-22)12-24-17/h3-6,10,12H,8-9H2,1H3,(H2,23,26)(H,25,27)/t20-/m0/s1 | 定義日: | 2020-09-24 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | ~{N}-[3-[(4~{R})-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide |
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![TWZ TWZ](https://data.pdbj.org/pdbjplus/data/cc/svg/TWZ.svg) | TWZ | 表記: | ExoSTWZ molecular tweezer | 組成式: | C48 H39 N3 O10 P2 | SMILES: | OC(=O)Cn1cc(CCO[P](O)(=O)Oc2c3[CH]4C[CH](c5cc6[CH]7C[CH](c8ccccc78)c6cc45)c3c(O[P](O)(O)=O)c9[CH]%10C[CH](c%11cc%12[CH]%13C[CH](c%14ccccc%13%14)c%12cc%10%11)c29)nn1 | InChi: | InChI=1S/C48H39N3O10P2/c52-42(53)20-51-19-21(49-50-51)9-10-59-63(57,58)61-48-45-40-17-38(34-13-30-26-11-28(32(30)15-36(34)40)24-7-3-1-5-22(24)26)43(45)47(60-62(54,55)56)44-39-18-41(46(44)48)37-16-33-29-12-27(31(33)14-35(37)39)23-6-2-4-8-25(23)29/h1-8,13-16,19,26-29,38-41H,9-12,17-18,20H2,(H,52,53)(H,57,58)(H2,54,55,56)/t26-,27+,28+,29-,38-,39+,40+,41- | 定義日: | 2020-03-02 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 |
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![K7F K7F](https://data.pdbj.org/pdbjplus/data/cc/svg/K7F.svg) | K7F | 表記: | 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide | 組成式: | C31 H31 N7 O2 | SMILES: | NC(=O)c1ccc(cc1)CN2CCC(CC2)Nc5nc(Oc3c(cc(cc3C)C#N)C)c(c4ccncc4)cn5 | InChi: | InChI=1S/C31H31N7O2/c1-20-15-23(17-32)16-21(2)28(20)40-30-27(24-7-11-34-12-8-24)18-35-31(37-30)36-26-9-13-38(14-10-26)19-22-3-5-25(6-4-22)29(33)39/h3-8,11-12,15-16,18,26H,9-10,13-14,19H2,1-2H3,(H2,33,39)(H,35,36,37) | 定義日: | 2020-12-02 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide |
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![GWR GWR](https://data.pdbj.org/pdbjplus/data/cc/svg/GWR.svg) | GWR | 表記: | 8-(3-chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione | 組成式: | C22 H20 Cl2 N4 O4 | SMILES: | CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4cccc(Cl)c4)nc12 | InChi: | InChI=1S/C22H20Cl2N4O4/c1-26-19-18(20(30)27(22(26)31)10-3-11-29)28(13-14-6-8-15(23)9-7-14)21(25-19)32-17-5-2-4-16(24)12-17/h2,4-9,12,29H,3,10-11,13H2,1H3 | 定義日: | 2020-09-29 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | 8-(3-chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione |
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![GX0 GX0](https://data.pdbj.org/pdbjplus/data/cc/svg/GX0.svg) | GX0 | 表記: | 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole | 組成式: | C19 H20 Cl N3 | SMILES: | Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1 | InChi: | InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2 | 別名: | Clemizole | 定義日: | 2020-09-29 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole |
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![GX6 GX6](https://data.pdbj.org/pdbjplus/data/cc/svg/GX6.svg) | GX6 | 表記: | N-[3-[(9S)-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide | 組成式: | C23 H18 F3 N5 O2 | SMILES: | CC#C[C]1(N=C(N)OCC12CC(F)(F)C2)c3cc(NC(=O)c4ccc(cn4)C#N)ccc3F | InChi: | InChI=1S/C23H18F3N5O2/c1-2-7-23(21(11-22(25,26)12-21)13-33-20(28)31-23)16-8-15(4-5-17(16)24)30-19(32)18-6-3-14(9-27)10-29-18/h3-6,8,10H,11-13H2,1H3,(H2,28,31)(H,30,32)/t23-/m1/s1 | 定義日: | 2020-10-01 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | ~{N}-[3-[(9~{S})-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide |
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![OEH OEH](https://data.pdbj.org/pdbjplus/data/cc/svg/OEH.svg) | OEH | 表記: | [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium | 組成式: | C35 H43 Cl N3 O6 | SMILES: | CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCCCl)=[N+](C)C)c1 | InChi: | InChI=1S/C35H42ClN3O6/c1-38(2)25-10-13-28-31(22-25)45-32-23-26(39(3)4)11-14-29(32)33(28)30-21-24(9-12-27(30)35(41)42)34(40)37-16-18-44-20-19-43-17-8-6-5-7-15-36/h9-14,21-23H,5-8,15-20H2,1-4H3,(H-,37,40,41,42)/p+1 | 定義日: | 2020-02-28 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium |
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![OEK OEK](https://data.pdbj.org/pdbjplus/data/cc/svg/OEK.svg) | OEK | 表記: | 4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid | 組成式: | C38 H49 Cl N3 O5 | SMILES: | CN(C)c1ccc2c(c1)C(C)(C)C3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCCCl)=[N+](C)C | InChi: | InChI=1S/C38H48ClN3O5/c1-38(2)33-24-27(41(3)4)12-15-30(33)35(31-16-13-28(42(5)6)25-34(31)38)32-23-26(11-14-29(32)37(44)45)36(43)40-18-20-47-22-21-46-19-10-8-7-9-17-39/h11-16,23-25H,7-10,17-22H2,1-6H3,(H-,40,43,44,45)/p+1 | 定義日: | 2020-02-28 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | [10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-7-(dimethylamino)-9,9-dimethyl-anthracen-2-ylidene]-dimethyl-azanium |
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![OEN OEN](https://data.pdbj.org/pdbjplus/data/cc/svg/OEN.svg) | OEN | 表記: | Biapenem Imine hydrolysis product | 組成式: | C15 H21 N4 O5 S | SMILES: | C[CH](O)[CH](C(O)=O)C1=N[CH]([CH](S[CH]2Cn3cnc[n+]3C2)[CH]1C)C(O)=O | InChi: | InChI=1S/C15H20N4O5S/c1-7-11(10(8(2)20)14(21)22)17-12(15(23)24)13(7)25-9-3-18-5-16-6-19(18)4-9/h5-10,12-13,20H,3-4H2,1-2H3,(H-,21,22,23,24)/p+1/t7-,8-,10-,12+,13+/m1/s1 | 定義日: | 2020-03-02 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | (4~{R})-5-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-[[(6~{S})-6,7-dihydro-5~{H}-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-4-methyl-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid |
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![OEQ OEQ](https://data.pdbj.org/pdbjplus/data/cc/svg/OEQ.svg) | OEQ | 表記: | Biapenem Enamine hydrolysis product | 組成式: | C15 H21 N4 O5 S | SMILES: | C[CH](O)[CH]([CH]1NC(=C(S[CH]2Cn3cnc[n+]3C2)[CH]1C)C(O)=O)C(O)=O | InChi: | InChI=1S/C15H20N4O5S/c1-7-11(10(8(2)20)14(21)22)17-12(15(23)24)13(7)25-9-3-18-5-16-6-19(18)4-9/h5-11,17,20H,3-4H2,1-2H3,(H-,21,22,23,24)/p+1/t7-,8-,10-,11-/m1/s1 | 別名: | (2~{S},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[[(6~{R})-6,7-dihydro-5~{H}-pyrazolo[1,2
-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-3-methyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid | 定義日: | 2020-03-02 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | (2~{S},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[[(6~{R})-6,7-dihydro-5~{H}-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-3-methyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid |
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![OEZ OEZ](https://data.pdbj.org/pdbjplus/data/cc/svg/OEZ.svg) | OEZ | 表記: | ~{N}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide | 組成式: | C21 H21 N3 O3 | SMILES: | COc1ccc(cc1c2cc(n3cccnc23)C(C)=O)C(=O)NC4CCC4 | InChi: | InChI=1S/C21H21N3O3/c1-13(25)18-12-17(20-22-9-4-10-24(18)20)16-11-14(7-8-19(16)27-2)21(26)23-15-5-3-6-15/h4,7-12,15H,3,5-6H2,1-2H3,(H,23,26) | 定義日: | 2020-03-02 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | ~{N}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide |
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![OF5 OF5](https://data.pdbj.org/pdbjplus/data/cc/svg/OF5.svg) | OF5 | 表記: | 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone | 組成式: | C17 H16 N2 O3 | SMILES: | COc1ccc(OC)c(c1)c2cc(n3cccnc23)C(C)=O | InChi: | InChI=1S/C17H16N2O3/c1-11(20)15-10-14(17-18-7-4-8-19(15)17)13-9-12(21-2)5-6-16(13)22-3/h4-10H,1-3H3 | 定義日: | 2020-03-02 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone |
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![OF8 OF8](https://data.pdbj.org/pdbjplus/data/cc/svg/OF8.svg) | OF8 | 表記: | 1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone | 組成式: | C14 H11 N3 O | SMILES: | CC(=O)c1cc(c2ccccn2)c3ncccn13 | InChi: | InChI=1S/C14H11N3O/c1-10(18)13-9-11(12-5-2-3-6-15-12)14-16-7-4-8-17(13)14/h2-9H,1H3 | 定義日: | 2020-03-02 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | 1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone |
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![OFK OFK](https://data.pdbj.org/pdbjplus/data/cc/svg/OFK.svg) | OFK | 表記: | 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone | 組成式: | C15 H12 N2 O | SMILES: | CC(=O)c1cc(c2ccccc2)c3ncccn13 | InChi: | InChI=1S/C15H12N2O/c1-11(18)14-10-13(12-6-3-2-4-7-12)15-16-8-5-9-17(14)15/h2-10H,1H3 | 定義日: | 2020-03-02 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone |
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![OGB OGB](https://data.pdbj.org/pdbjplus/data/cc/svg/OGB.svg) | OGB | 表記: | methyl isoquinoline-5-carboxylate | 組成式: | C11 H9 N O2 | SMILES: | COC(=O)c1cccc2cnccc12 | InChi: | InChI=1S/C11H9NO2/c1-14-11(13)10-4-2-3-8-7-12-6-5-9(8)10/h2-7H,1H3 | 定義日: | 2020-03-04 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | methyl isoquinoline-5-carboxylate |
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![OGQ OGQ](https://data.pdbj.org/pdbjplus/data/cc/svg/OGQ.svg) | OGQ | 表記: | [9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium | 組成式: | C33 H32 N3 O4 | SMILES: | CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCc5ccc(C)cc5)=[N+](C)C)c1 | InChi: | InChI=1S/C33H31N3O4/c1-20-6-8-21(9-7-20)19-34-32(37)22-10-13-25(33(38)39)28(16-22)31-26-14-11-23(35(2)3)17-29(26)40-30-18-24(36(4)5)12-15-27(30)31/h6-18H,19H2,1-5H3,(H-,34,37,38,39)/p+1 | 定義日: | 2020-03-06 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | [9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium |
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![OH5 OH5](https://data.pdbj.org/pdbjplus/data/cc/svg/OH5.svg) | OH5 | 表記: | (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid | 組成式: | C12 H17 N O2 | SMILES: | C[CH](C[CH](N)Cc1ccccc1)C(O)=O | InChi: | InChI=1S/C12H17NO2/c1-9(12(14)15)7-11(13)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3,(H,14,15)/t9-,11+/m0/s1 | 定義日: | 2020-03-10 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid |
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![OO8 OO8](https://data.pdbj.org/pdbjplus/data/cc/svg/OO8.svg) | OO8 | 表記: | [2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid | 組成式: | C15 H16 N O5 P | SMILES: | O[P](O)(=O)c1ccccc1OCC(=O)NCc2ccccc2 | InChi: | InChI=1S/C15H16NO5P/c17-15(16-10-12-6-2-1-3-7-12)11-21-13-8-4-5-9-14(13)22(18,19)20/h1-9H,10-11H2,(H,16,17)(H2,18,19,20) | 定義日: | 2020-03-24 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | [2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid |
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![OOE OOE](https://data.pdbj.org/pdbjplus/data/cc/svg/OOE.svg) | OOE | 表記: | 2',2'-difluoro-3',3'-cGAMP | 組成式: | C20 H22 F2 N10 O11 P2 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67 | InChi: | InChI=1S/C20H22F2N10O11P2/c21-8-12-6(40-18(8)31-4-27-10-14(23)25-3-26-15(10)31)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(9(13)22)32-5-28-11-16(32)29-20(24)30-17(11)33/h3-9,12-13,18-19H,1-2H2,(H,34,35)(H,36,37)(H2,23,25,26)(H3,24,29,30,33)/t6-,7-,8-,9-,12-,13-,18-,19-/m1/s1 | 別名: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-
3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-2-azan
yl-1~{H}-purin-6-one | 定義日: | 2020-03-24 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-2-azanyl-1~{H}-purin-6-one |
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![O9H O9H](https://data.pdbj.org/pdbjplus/data/cc/svg/O9H.svg) | O9H | 表記: | [(1~{R},3~{R})-1-acetyloxy-1-[4-methanoyl-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,3-thiazol-2-yl]-4-methyl-pentan-3-yl]-methyl-azanium | 組成式: | C22 H33 N2 O4 S | SMILES: | C[NH2+][CH](C[CH](OC(C)=O)[CH]1NC(=C(CCOCc2ccccc2)S1)C=O)C(C)C | InChi: | InChI=1S/C22H32N2O4S/c1-15(2)18(23-4)12-20(28-16(3)26)22-24-19(13-25)21(29-22)10-11-27-14-17-8-6-5-7-9-17/h5-9,13,15,18,20,22-24H,10-12,14H2,1-4H3/p+1/t18-,20-,22+/m1/s1 | 定義日: | 2020-02-24 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | [(1~{R},3~{R})-1-acetyloxy-1-[4-methanoyl-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,3-thiazol-2-yl]-4-methyl-pentan-3-yl]-methyl-azanium |
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![O9K O9K](https://data.pdbj.org/pdbjplus/data/cc/svg/O9K.svg) | O9K | 表記: | [(1~{R},3~{R})-1-(4-methanoyl-1,3-thiazol-2-yl)-4-methyl-3-(methylamino)pentyl] ethanoate | 組成式: | C13 H20 N2 O3 S | SMILES: | CN[CH](C[CH](OC(C)=O)c1scc(C=O)n1)C(C)C | InChi: | InChI=1S/C13H20N2O3S/c1-8(2)11(14-4)5-12(18-9(3)17)13-15-10(6-16)7-19-13/h6-8,11-12,14H,5H2,1-4H3/t11-,12-/m1/s1 | 定義日: | 2020-02-24 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | [(1~{R},3~{R})-1-(4-methanoyl-1,3-thiazol-2-yl)-4-methyl-3-(methylamino)pentyl] ethanoate |
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![O9N O9N](https://data.pdbj.org/pdbjplus/data/cc/svg/O9N.svg) | O9N | 表記: | methyl (2~{S},4~{S})-2,4-bis(azanyl)-5-phenyl-pentanoate | 組成式: | C12 H18 N2 O2 | SMILES: | COC(=O)[CH](N)C[CH](N)Cc1ccccc1 | InChi: | InChI=1S/C12H18N2O2/c1-16-12(15)11(14)8-10(13)7-9-5-3-2-4-6-9/h2-6,10-11H,7-8,13-14H2,1H3/t10-,11-/m0/s1 | 定義日: | 2020-02-24 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | methyl (2~{S},4~{S})-2,4-bis(azanyl)-5-phenyl-pentanoate |
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![Q3M Q3M](https://data.pdbj.org/pdbjplus/data/cc/svg/Q3M.svg) | Q3M | 表記: | Methyl 2-(acetylamino)-2-deoxy-1-thio-alpha-D-galactopyranose | 組成式: | C10 H19 N O4 S | SMILES: | CSC1CC(CO)C(O)C(O)C1NC(C)=O | InChi: | InChI=1S/C10H19NO4S/c1-5(13)11-8-7(16-2)3-6(4-12)9(14)10(8)15/h6-10,12,14-15H,3-4H2,1-2H3,(H,11,13)/t6-,7+,8+,9+,10-/m1/s1 | 別名: | N-[(1R,2R,3S,4R,6S)-2,3-dihydroxy-4-(hydroxymethyl)-6-(methylsulfanyl)cyclohexyl]acetamide | 定義日: | 2019-09-16 | 最終更新日: | 2021-03-26 | 公開日: | 2021-03-31 | 識別子(ID): | N-[(1R,2R,3S,4R,6S)-2,3-dihydroxy-4-(hydroxymethyl)-6-(methylsulfanyl)cyclohexyl]acetamide |
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