![S7Z S7Z](https://data.pdbj.org/pdbjplus/data/cc/svg/S7Z.svg) | S7Z | 表記: | (E)-(4-((2,6-difluoro-4-(hydroxymethyl)phenyl)diazenyl)-2,6-difluorophenyl)methanol | 組成式: | C14 H6 F4 N2 O4 | SMILES: | OC(=O)c1cc(F)c(N=Nc2c(F)cc(cc2F)C(O)=O)c(F)c1 | InChi: | InChI=1S/C14H6F4N2O4/c15-7-1-5(13(21)22)2-8(16)11(7)19-20-12-9(17)3-6(14(23)24)4-10(12)18/h1-4H,(H,21,22)(H,23,24)/b20-19- | 別名: | [4-[(~{Z})-[2,6-bis(fluoranyl)-4-(hydroxymethyl)phenyl]diazenyl]-3,5-bis(fluoranyl)phenyl]methanol | 定義日: | 2020-11-11 | 最終更新日: | 2024-06-28 | 公開日: | 2021-12-15 | 識別子(ID): | 4-[(~{Z})-[4-carboxy-2,6-bis(fluoranyl)phenyl]diazenyl]-3,5-bis(fluoranyl)benzoic acid |
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![CRK CRK](https://data.pdbj.org/pdbjplus/data/cc/svg/CRK.svg) | CRK | 表記: | 4-{(Z)-[2-[3-(METHYLSULFANYL)PROPANOYL]-5-OXO-1-(2-OXOETHYL)-1,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE]METHYL}BENZENOLATE | 組成式: | C16 H15 N2 O5 S | SMILES: | O=C(C1=N/C(C(=O)N1CC=O)=C/c2ccc([O-])cc2)CCSC | InChi: | InChI=1S/C16H16N2O5S/c1-24-7-6-13(20)15-17-12(16(23)18(15)9-14(21)22)8-10-2-4-11(19)5-3-10/h2-5,8,19H,6-7,9H2,1H3,(H,21,22)/p-1/b12-8+ | 定義日: | 2004-10-11 | 最終更新日: | 2024-06-28 | 識別子(ID): | 4-[(E)-{2-[3-(methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4H-imidazol-4-ylidene}methyl]phenolate |
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![A1IBD A1IBD](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IBD.svg) | A1IBD | 表記: | ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide | 組成式: | C10 H16 N2 O2 S | SMILES: | C[CH](N)CN[S](=O)(=O)c1ccc(C)cc1 | InChi: | InChI=1S/C10H16N2O2S/c1-8-3-5-10(6-4-8)15(13,14)12-7-9(2)11/h3-6,9,12H,7,11H2,1-2H3/t9-/m0/s1 | 定義日: | 2024-05-10 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide |
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![A1IBE A1IBE](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IBE.svg) | A1IBE | 表記: | ~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide | 組成式: | C9 H13 F N2 O3 S | SMILES: | NC[CH](O)CN[S](=O)(=O)c1ccccc1F | InChi: | InChI=1S/C9H13FN2O3S/c10-8-3-1-2-4-9(8)16(14,15)12-6-7(13)5-11/h1-4,7,12-13H,5-6,11H2/t7-/m0/s1 | 定義日: | 2024-05-10 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | ~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide |
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![A1IBQ A1IBQ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IBQ.svg) | A1IBQ | 表記: | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide | 組成式: | C14 H14 F2 N2 O2 S | SMILES: | N[CH](CN[S](=O)(=O)c1cc(F)cc(F)c1)c2ccccc2 | InChi: | InChI=1S/C14H14F2N2O2S/c15-11-6-12(16)8-13(7-11)21(19,20)18-9-14(17)10-4-2-1-3-5-10/h1-8,14,18H,9,17H2/t14-/m1/s1 | 定義日: | 2024-05-14 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide |
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![A1IBR A1IBR](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IBR.svg) | A1IBR | 表記: | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide | 組成式: | C15 H16 F2 N2 O2 S | SMILES: | CN(C[CH](N)c1ccccc1)[S](=O)(=O)c2cc(F)cc(F)c2 | InChi: | InChI=1S/C15H16F2N2O2S/c1-19(10-15(18)11-5-3-2-4-6-11)22(20,21)14-8-12(16)7-13(17)9-14/h2-9,15H,10,18H2,1H3/t15-/m1/s1 | 定義日: | 2024-05-14 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide |
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![WP9 WP9](https://data.pdbj.org/pdbjplus/data/cc/svg/WP9.svg) | WP9 | 表記: | ~{S}-[2-[3-[[(2~{R})-4-[[(2~{S})-2-azanyl-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-azanylbenzenecarbothioate | 組成式: | C21 H33 N4 O9 P S | SMILES: | CC(C)(CO[P](O)(=O)OC[CH](N)C=O)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1N | InChi: | InChI=1S/C21H33N4O9PS/c1-21(2,13-34-35(31,32)33-12-14(22)11-26)18(28)19(29)25-8-7-17(27)24-9-10-36-20(30)15-5-3-4-6-16(15)23/h3-6,11,14,18,28H,7-10,12-13,22-23H2,1-2H3,(H,24,27)(H,25,29)(H,31,32)/t14-,18+/m1/s1 | 定義日: | 2023-10-10 | 最終更新日: | 2024-06-21 | 公開日: | 2024-06-26 | 識別子(ID): | ~{S}-[2-[3-[[(2~{R})-4-[[(2~{S})-2-azanyl-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-azanylbenzenecarbothioate |
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![A1LW9 A1LW9](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LW9.svg) | A1LW9 | 表記: | ~{N}-[4-[[4-azanyl-3-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]propanamide | 組成式: | C25 H24 N6 O2 S | SMILES: | CCC(=O)Nc1ccc(Cn2nc(c3sc4c(OC)cc(C)cc4c3)c5c(N)ncnc25)cc1 | InChi: | InChI=1S/C25H24N6O2S/c1-4-20(32)29-17-7-5-15(6-8-17)12-31-25-21(24(26)27-13-28-25)22(30-31)19-11-16-9-14(2)10-18(33-3)23(16)34-19/h5-11,13H,4,12H2,1-3H3,(H,29,32)(H2,26,27,28) | 定義日: | 2024-01-26 | 最終更新日: | 2024-06-21 | 公開日: | 2024-06-26 | 識別子(ID): | ~{N}-[4-[[4-azanyl-3-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]propanamide |
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![A1AU1 A1AU1](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AU1.svg) | A1AU1 | 表記: | 3,5-dichloro-N-(8-fluoroisoquinolin-5-yl)-2-hydroxybenzene-1-sulfonamide | 組成式: | C15 H9 Cl2 F N2 O3 S | SMILES: | Clc1cc(c(O)c(Cl)c1)S(=O)(=O)Nc1ccc(F)c2cnccc21 | InChi: | InChI=1S/C15H9Cl2FN2O3S/c16-8-5-11(17)15(21)14(6-8)24(22,23)20-13-2-1-12(18)10-7-19-4-3-9(10)13/h1-7,20-21H | 定義日: | 2024-06-12 | 最終更新日: | 2024-06-14 | 公開日: | 2024-06-19 | 識別子(ID): | 3,5-dichloro-N-(8-fluoroisoquinolin-5-yl)-2-hydroxybenzene-1-sulfonamide |
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![A1AU5 A1AU5](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AU5.svg) | A1AU5 | 表記: | N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide | 組成式: | C16 H15 Cl N2 O4 S | SMILES: | Clc1cccc(c1O)S(=O)(=O)Nc1cccc2c1CCN2C(C)=O | InChi: | InChI=1S/C16H15ClN2O4S/c1-10(20)19-9-8-11-13(5-3-6-14(11)19)18-24(22,23)15-7-2-4-12(17)16(15)21/h2-7,18,21H,8-9H2,1H3 | 定義日: | 2024-06-13 | 最終更新日: | 2024-06-14 | 公開日: | 2024-06-19 | 識別子(ID): | N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide |
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![A1AUT A1AUT](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AUT.svg) | A1AUT | 表記: | 3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide | 組成式: | C14 H10 Cl2 N2 O3 S2 | SMILES: | Clc1cccc(c1O)S(=O)(=O)Nc1cc2sc(C)nc2cc1Cl | InChi: | InChI=1S/C14H10Cl2N2O3S2/c1-7-17-11-5-9(16)10(6-12(11)22-7)18-23(20,21)13-4-2-3-8(15)14(13)19/h2-6,18-19H,1H3 | 定義日: | 2024-06-10 | 最終更新日: | 2024-06-14 | 公開日: | 2024-06-19 | 識別子(ID): | 3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide |
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![O2I O2I](https://data.pdbj.org/pdbjplus/data/cc/svg/O2I.svg) | O2I | 表記: | 4-[(~{E})-2-[(4~{Z})-4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-1-methyl-5-oxidanylidene-imidazol-2-yl]ethenyl]benzenecarbonitrile | 組成式: | C20 H13 F2 N3 O2 | SMILES: | CN1C(=O)C(=Cc2cc(F)c(O)c(F)c2)N=C1C=Cc3ccc(cc3)C#N | InChi: | InChI=1S/C20H13F2N3O2/c1-25-18(7-6-12-2-4-13(11-23)5-3-12)24-17(20(25)27)10-14-8-15(21)19(26)16(22)9-14/h2-10,26H,1H3/b7-6+,17-10- | 定義日: | 2023-01-20 | 最終更新日: | 2024-06-14 | 公開日: | 2024-06-19 | 識別子(ID): | 4-[(~{E})-2-[(4~{Z})-4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-1-methyl-5-oxidanylidene-imidazol-2-yl]ethenyl]benzenecarbonitrile |
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![X8K X8K](https://data.pdbj.org/pdbjplus/data/cc/svg/X8K.svg) | X8K | 表記: | 4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile | 組成式: | C25 H20 N4 O2 | SMILES: | O=C(N1CCOCC1)c2ccc(cc2)c3ccc4ncc(n4c3)c5ccc(cc5)C#N | InChi: | InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2 | 定義日: | 2023-06-06 | 最終更新日: | 2024-06-07 | 公開日: | 2024-06-12 | 識別子(ID): | 4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile |
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![A1D49 A1D49](https://data.pdbj.org/pdbjplus/data/cc/svg/A1D49.svg) | A1D49 | 表記: | (5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one | 組成式: | C19 H20 N4 O2 | SMILES: | CCCOc1ccc(cc1)[CH]2CNC(=O)N2c3ccc4nc[nH]c4c3 | InChi: | InChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1 | 別名: | PQ912 | 定義日: | 2023-12-22 | 最終更新日: | 2024-06-07 | 公開日: | 2024-06-12 | 識別子(ID): | (5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one |
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![WC8 WC8](https://data.pdbj.org/pdbjplus/data/cc/svg/WC8.svg) | WC8 | 表記: | 2-CN-benzoyl coenzyme A | 組成式: | C29 H39 N8 O17 P3 S | SMILES: | CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c4ccccc4C#N | InChi: | InChI=1S/C29H39N8O17P3S/c1-29(2,23(40)26(41)33-8-7-19(38)32-9-10-58-28(42)17-6-4-3-5-16(17)11-30)13-51-57(48,49)54-56(46,47)50-12-18-22(53-55(43,44)45)21(39)27(52-18)37-15-36-20-24(31)34-14-35-25(20)37/h3-6,14-15,18,21-23,27,39-40H,7-10,12-13H2,1-2H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t18-,21-,22+,23+,27-/m1/s1 | 別名: | S-[2-[3-[[(2R)-4-[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-cyanobenzenecarbothioate | 定義日: | 2023-05-10 | 最終更新日: | 2024-05-31 | 公開日: | 2024-06-05 | 識別子(ID): | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-cyanobenzenecarbothioate |
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![UEU UEU](https://data.pdbj.org/pdbjplus/data/cc/svg/UEU.svg) | UEU | 表記: | 4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile | 組成式: | C28 H27 F2 N3 O2 | SMILES: | CC(C)(O)Cc1ccc(c(F)c1)c2ccc(cc2c3ccc(C#N)c(F)c3)C(=O)N4CC[CH](N)C4 | InChi: | InChI=1S/C28H27F2N3O2/c1-28(2,35)14-17-3-7-23(26(30)11-17)22-8-6-19(27(34)33-10-9-21(32)16-33)12-24(22)18-4-5-20(15-31)25(29)13-18/h3-8,11-13,21,35H,9-10,14,16,32H2,1-2H3/t21-/m1/s1 | 定義日: | 2023-05-29 | 最終更新日: | 2024-05-17 | 公開日: | 2024-05-22 | 識別子(ID): | 4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile |
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![A1AJE A1AJE](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJE.svg) | A1AJE | 表記: | (S~1~R)-3-carbamoyl-4-methoxybenzene-1-sulfinic acid | 組成式: | C8 H9 N O4 S | SMILES: | OS(=O)c1cc(c(OC)cc1)C(N)=O | InChi: | InChI=1S/C8H9NO4S/c1-13-7-3-2-5(14(11)12)4-6(7)8(9)10/h2-4H,1H3,(H2,9,10)(H,11,12) | 定義日: | 2024-04-03 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | (S~1~R)-3-carbamoyl-4-methoxybenzene-1-sulfinic acid |
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![F3L F3L](https://data.pdbj.org/pdbjplus/data/cc/svg/F3L.svg) | F3L | 表記: | 4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile | 組成式: | C17 H16 Cl F N4 O4 S | SMILES: | NC[C]1(O)CN(C[CH]1Oc2ccc(C#N)c(F)c2)[S](=O)(=O)c3ccc(Cl)cn3 | InChi: | InChI=1S/C17H16ClFN4O4S/c18-12-2-4-16(22-7-12)28(25,26)23-8-15(17(24,9-21)10-23)27-13-3-1-11(6-20)14(19)5-13/h1-5,7,15,24H,8-10,21H2/t15-,17-/m0/s1 | 別名: | 4-[(3S,4S)-4-(aminomethyl)-1-(5-chloropyridin-2-yl)sulfonyl-4-hydroxypyrrolidin-3-yl]oxy-2-fluorobenzonitrile | 定義日: | 2023-06-27 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | 4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile |
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![ZQF ZQF](https://data.pdbj.org/pdbjplus/data/cc/svg/ZQF.svg) | ZQF | 表記: | 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid | 組成式: | C38 H42 N4 O10 S2 | SMILES: | O=S(=O)(Nc1ccc(NC(=O)CCNC(=O)c2ccc(NS(=O)(=O)c3ccc(CCCC)cc3)c(c2)C(=O)O)cc1C(=O)O)c1ccc(CCCC)cc1 | InChi: | InChI=1S/C38H42N4O10S2/c1-3-5-7-25-9-15-29(16-10-25)53(49,50)41-33-19-13-27(23-31(33)37(45)46)36(44)39-22-21-35(43)40-28-14-20-34(32(24-28)38(47)48)42-54(51,52)30-17-11-26(12-18-30)8-6-4-2/h9-20,23-24,41-42H,3-8,21-22H2,1-2H3,(H,39,44)(H,40,43)(H,45,46)(H,47,48) | 定義日: | 2023-03-20 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid |
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![ZLF ZLF](https://data.pdbj.org/pdbjplus/data/cc/svg/ZLF.svg) | ZLF | 表記: | S-(1-FLUORO-3,5-DIMETHYLBENZENE)-CYSTEINE | 組成式: | C11 H14 F N O2 S | SMILES: | Cc1cc(F)cc(CSC[CH](N)C(O)=O)c1 | InChi: | InChI=1S/C11H14FNO2S/c1-7-2-8(4-9(12)3-7)5-16-6-10(13)11(14)15/h2-4,10H,5-6,13H2,1H3,(H,14,15)/t10-/m0/s1 | 別名: | 2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid | 定義日: | 2024-01-22 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | 2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid |
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![I4Y I4Y](https://data.pdbj.org/pdbjplus/data/cc/svg/I4Y.svg) | I4Y | 表記: | 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid | 組成式: | C14 H12 O6 S | SMILES: | COc1cc(O)c(cc1[S](O)(=O)=O)C(=O)c2ccccc2 | InChi: | InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19) | 定義日: | 2022-06-07 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid |
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![QU0 QU0](https://data.pdbj.org/pdbjplus/data/cc/svg/QU0.svg) | QU0 | 表記: | N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide | 組成式: | C25 H34 N4 O4 S | SMILES: | CN(C)c1nc(CC(O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(cc2)C(C)(C)CC)on1 | InChi: | InChI=1S/C25H34N4O4S/c1-6-25(2,3)19-12-14-20(15-13-19)34(31,32)28-21(16-18-10-8-7-9-11-18)22(30)17-23-26-24(27-33-23)29(4)5/h7-15,21-22,28,30H,6,16-17H2,1-5H3/t21-,22-/m0/s1 | 定義日: | 2023-08-21 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide |
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![Q9O Q9O](https://data.pdbj.org/pdbjplus/data/cc/svg/Q9O.svg) | Q9O | 表記: | 4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol | 組成式: | C15 H17 N O2 S | SMILES: | CN(C)Cc1ccccc1Sc2ccc(O)cc2O | InChi: | InChI=1S/C15H17NO2S/c1-16(2)10-11-5-3-4-6-14(11)19-15-8-7-12(17)9-13(15)18/h3-9,17-18H,10H2,1-2H3 | 定義日: | 2023-08-29 | 最終更新日: | 2024-04-12 | 公開日: | 2024-04-17 | 識別子(ID): | 4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol |
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![VV8 VV8](https://data.pdbj.org/pdbjplus/data/cc/svg/VV8.svg) | VV8 | 表記: | 3-(cyclooctylamino)-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide | 組成式: | C16 H23 F3 N2 O4 S2 | SMILES: | CC[S](=O)(=O)c1c(F)c(F)c(c(F)c1NC2CCCCCCC2)[S](N)(=O)=O | InChi: | InChI=1S/C16H23F3N2O4S2/c1-2-26(22,23)16-12(18)11(17)15(27(20,24)25)13(19)14(16)21-10-8-6-4-3-5-7-9-10/h10,21H,2-9H2,1H3,(H2,20,24,25) | 定義日: | 2023-04-05 | 最終更新日: | 2024-04-05 | 公開日: | 2024-04-10 | 識別子(ID): | 3-(cyclooctylamino)-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide |
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![YF8 YF8](https://data.pdbj.org/pdbjplus/data/cc/svg/YF8.svg) | YF8 | 表記: | N-[8-(4-{[(1R,3R,4S)-4-(4-chlorophenyl)-1-methyl-3-{[4-(4-{[4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}cyclohexyl]methyl}piperazin-1-yl)-8-oxooctanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide | 組成式: | C82 H104 Cl F3 N11 O11 S4 | SMILES: | O=S(=O)(c1cc(ccc1NC(CSc1ccccc1)CCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)CC=1CC(C)(CCC=1c1ccc(Cl)cc1)CN1CCN(CC1)C(=O)CCCCCCC(=O)NC(C(=O)N1CC(O)CC1C(=O)NC(C)c1ccc(cc1)c1scnc1C)C(C)(C)C)C(F)(F)F | InChi: | InChI=1S/C82H105ClF3N11O11S4/c1-56(58-18-20-60(21-19-58)75-57(2)87-55-110-75)88-78(102)71-48-66(98)52-97(71)79(103)76(80(3,4)5)90-73(99)16-12-7-8-13-17-74(100)96-42-38-94(39-43-96)54-81(6)34-32-69(59-22-26-63(83)27-23-59)62(50-81)51-93-36-40-95(41-37-93)65-28-24-61(25-29-65)77(101)91-112(106,107)68-30-31-70(72(49-68)111(104,105)82(84,85)86)89-64(33-35-92-44-46-108-47-45-92)53-109-67-14-10-9-11-15-67/h9-11,14-15,18-31,49,55-56,64,66,71,76,89,98H,7-8,12-13,16-17,32-48,50-54H2,1-6H3,(H,88,102)(H,90,99)(H,91,101)/t56-,64+,66+,71-,76+,81+/m0/s1 | 定義日: | 2023-01-26 | 最終更新日: | 2024-04-05 | 公開日: | 2024-04-10 | 識別子(ID): | N-[8-(4-{[(4R)-4'-chloro-4-methyl-6-{[4-(4-{[4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}-2,3,4,5-tetrahydro[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-8-oxooctanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide |
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