![OO2 OO2](https://data.pdbj.org/pdbjplus/data/cc/svg/OO2.svg) | OO2 | 表記: | [(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid | 組成式: | C16 H23 Cl N5 O7 P | SMILES: | O[CH]1[CH](O)[CH](O[CH]1COC[P](O)(O)=O)n2cnc3c(NC4CCCC4)nc(Cl)nc23 | InChi: | InChI=1S/C16H23ClN5O7P/c17-16-20-13(19-8-3-1-2-4-8)10-14(21-16)22(6-18-10)15-12(24)11(23)9(29-15)5-28-7-30(25,26)27/h6,8-9,11-12,15,23-24H,1-5,7H2,(H,19,20,21)(H2,25,26,27)/t9-,11-,12-,15-/m1/s1 | 定義日: | 2020-03-23 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid |
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![OO5 OO5](https://data.pdbj.org/pdbjplus/data/cc/svg/OO5.svg) | OO5 | 表記: | [(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid | 組成式: | C16 H23 Cl N5 O7 P | SMILES: | O[CH]1[CH](O)[CH](O[CH]1COC[P](O)(O)=O)n2ncc3c(NC4CCCC4)nc(Cl)nc23 | InChi: | InChI=1S/C16H23ClN5O7P/c17-16-20-13(19-8-3-1-2-4-8)9-5-18-22(14(9)21-16)15-12(24)11(23)10(29-15)6-28-7-30(25,26)27/h5,8,10-12,15,23-24H,1-4,6-7H2,(H,19,20,21)(H2,25,26,27)/t10-,11-,12-,15-/m1/s1 | 定義日: | 2020-03-23 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid |
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![OWT OWT](https://data.pdbj.org/pdbjplus/data/cc/svg/OWT.svg) | OWT | 表記: | ~{N}-[(5~{S})-6-azanyl-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide | 組成式: | C45 H55 F N10 O13 | SMILES: | CC(=O)NCC1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)COCCOCCn4cc(CNC(=O)[CH](CCCCNC(=O)c5cccc(O)c5O)NC(=O)c6cccc(O)c6O)nn4)c(F)c2 | InChi: | InChI=1S/C45H55FN10O13/c1-28(57)48-24-31-26-56(45(66)69-31)30-11-12-36(34(46)22-30)53-14-16-54(17-15-53)39(60)27-68-21-20-67-19-18-55-25-29(51-52-55)23-49-44(65)35(50-43(64)33-7-5-10-38(59)41(33)62)8-2-3-13-47-42(63)32-6-4-9-37(58)40(32)61/h4-7,9-12,22,25,31,35,58-59,61-62H,2-3,8,13-21,23-24,26-27H2,1H3,(H,47,63)(H,48,57)(H,49,65)(H,50,64)/t31?,35-/m0/s1 | 定義日: | 2020-04-06 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | ~{N}-[(5~{S})-6-[[1-[2-[2-[2-[4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methylamino]-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide |
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![QNE QNE](https://data.pdbj.org/pdbjplus/data/cc/svg/QNE.svg) | QNE | 表記: | ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine | 組成式: | C28 H35 F2 N5 O | SMILES: | COc1cc(NC2CN(CCCF)C2)ccc1[CH]3N(CC4(F)CC4)[CH](C)Cc5c3ccc6n[nH]cc56 | InChi: | InChI=1S/C28H35F2N5O/c1-18-12-23-21(6-7-25-24(23)14-31-33-25)27(35(18)17-28(30)8-9-28)22-5-4-19(13-26(22)36-2)32-20-15-34(16-20)11-3-10-29/h4-7,13-14,18,20,27,32H,3,8-12,15-17H2,1-2H3,(H,31,33)/t18-,27+/m1/s1 | 定義日: | 2020-07-08 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine |
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![QNH QNH](https://data.pdbj.org/pdbjplus/data/cc/svg/QNH.svg) | QNH | 表記: | 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine | 組成式: | C24 H29 F3 N6 | SMILES: | CCCN1CC(C1)Nc2ccc(nc2)[CH]3N(CC(F)(F)F)[CH](C)Cc4c3ccc5[nH]ncc45 | InChi: | InChI=1S/C24H29F3N6/c1-3-8-32-12-17(13-32)30-16-4-6-22(28-10-16)23-18-5-7-21-20(11-29-31-21)19(18)9-15(2)33(23)14-24(25,26)27/h4-7,10-11,15,17,23,30H,3,8-9,12-14H2,1-2H3,(H,29,31)/t15-,23+/m1/s1 | 定義日: | 2020-07-08 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine |
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![QNK QNK](https://data.pdbj.org/pdbjplus/data/cc/svg/QNK.svg) | QNK | 表記: | 6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine | 組成式: | C26 H32 F2 N6 | SMILES: | C[CH]1Cc2c(ccc3n[nH]cc23)[CH](N1CC4(F)CC4)c5ccc(NC6CN(CCCF)C6)cn5 | InChi: | InChI=1S/C26H32F2N6/c1-17-11-21-20(4-6-23-22(21)13-30-32-23)25(34(17)16-26(28)7-8-26)24-5-3-18(12-29-24)31-19-14-33(15-19)10-2-9-27/h3-6,12-13,17,19,25,31H,2,7-11,14-16H2,1H3,(H,30,32)/t17-,25+/m1/s1 | 定義日: | 2020-07-08 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine |
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![QST QST](https://data.pdbj.org/pdbjplus/data/cc/svg/QST.svg) | QST | 表記: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid | 組成式: | C10 H17 N O4 S2 | SMILES: | CCOC(=O)[C]1(CS)N[CH](C(O)=O)C(C)(C)S1 | InChi: | InChI=1S/C10H17NO4S2/c1-4-15-8(14)10(5-16)11-6(7(12)13)9(2,3)17-10/h6,11,16H,4-5H2,1-3H3,(H,12,13)/t6-,10+/m0/s1 | 定義日: | 2020-08-03 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid |
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![QT2 QT2](https://data.pdbj.org/pdbjplus/data/cc/svg/QT2.svg) | QT2 | 表記: | (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid | 組成式: | C10 H17 N O4 S2 | SMILES: | CCOC(=O)[C]1(CS)N[CH](C(O)=O)C(C)(C)S1 | InChi: | InChI=1S/C10H17NO4S2/c1-4-15-8(14)10(5-16)11-6(7(12)13)9(2,3)17-10/h6,11,16H,4-5H2,1-3H3,(H,12,13)/t6-,10-/m1/s1 | 定義日: | 2020-08-04 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid |
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![QZV QZV](https://data.pdbj.org/pdbjplus/data/cc/svg/QZV.svg) | QZV | 表記: | 2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid | 組成式: | C46 H40 N2 O10 | SMILES: | c6c(C#Cc2c(CC(O)=O)c1c(ccc(C)c1)o2)ccc(C(NCCOCCOCCNC(=O)c3ccc(cc3)C#Cc4oc5c(c4CC(O)=O)cc(cc5)C)=O)c6 | InChi: | InChI=1S/C46H40N2O10/c1-29-3-15-39-35(25-29)37(27-43(49)50)41(57-39)17-9-31-5-11-33(12-6-31)45(53)47-19-21-55-23-24-56-22-20-48-46(54)34-13-7-32(8-14-34)10-18-42-38(28-44(51)52)36-26-30(2)4-16-40(36)58-42/h3-8,11-16,25-26H,19-24,27-28H2,1-2H3,(H,47,53)(H,48,54)(H,49,50)(H,51,52) | 定義日: | 2020-01-20 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid |
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![R81 R81](https://data.pdbj.org/pdbjplus/data/cc/svg/R81.svg) | R81 | 表記: | N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide) | 組成式: | C32 H36 N6 O4 | SMILES: | C(NCc4ccc(C(=O)Nc3c(c(c2c(c(NC(c1ncc(cc1)CNCCO)=O)ccc2)C)ccc3)C)nc4)CO | InChi: | InChI=1S/C32H36N6O4/c1-21-25(5-3-7-27(21)37-31(41)29-11-9-23(19-35-29)17-33-13-15-39)26-6-4-8-28(22(26)2)38-32(42)30-12-10-24(20-36-30)18-34-14-16-40/h3-12,19-20,33-34,39-40H,13-18H2,1-2H3,(H,37,41)(H,38,42) | 定義日: | 2020-02-07 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide) |
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![PWN PWN](https://data.pdbj.org/pdbjplus/data/cc/svg/PWN.svg) | PWN | 表記: | 2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid | 組成式: | C12 H12 N2 O4 | SMILES: | OC(=O)c1ccccc1C=NNC(=O)CCC=O | InChi: | InChI=1S/C12H12N2O4/c15-7-3-6-11(16)14-13-8-9-4-1-2-5-10(9)12(17)18/h1-2,4-5,7-8H,3,6H2,(H,14,16)(H,17,18)/b13-8+ | 定義日: | 2020-04-30 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid |
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![PWQ PWQ](https://data.pdbj.org/pdbjplus/data/cc/svg/PWQ.svg) | PWQ | 表記: | 4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid | 組成式: | C12 H12 N2 O4 | SMILES: | OC(=O)c1ccc(cc1)C=NNC(=O)CCC=O | InChi: | InChI=1S/C12H12N2O4/c15-7-1-2-11(16)14-13-8-9-3-5-10(6-4-9)12(17)18/h3-8H,1-2H2,(H,14,16)(H,17,18)/b13-8+ | 定義日: | 2020-04-30 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 4-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid |
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![PWT PWT](https://data.pdbj.org/pdbjplus/data/cc/svg/PWT.svg) | PWT | 表記: | 2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid | 組成式: | C13 H16 N2 O4 | SMILES: | OC(=O)c1ccccc1CNNC(=O)CCCC=O | InChi: | InChI=1S/C13H16N2O4/c16-8-4-3-7-12(17)15-14-9-10-5-1-2-6-11(10)13(18)19/h1-2,5-6,8,14H,3-4,7,9H2,(H,15,17)(H,18,19) | 定義日: | 2020-04-30 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid |
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![PWW PWW](https://data.pdbj.org/pdbjplus/data/cc/svg/PWW.svg) | PWW | 表記: | 4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid | 組成式: | C13 H14 N2 O4 | SMILES: | OC(=O)c1ccc(cc1)C=NNC(=O)CCCC=O | InChi: | InChI=1S/C13H14N2O4/c16-8-2-1-3-12(17)15-14-9-10-4-6-11(7-5-10)13(18)19/h4-9H,1-3H2,(H,15,17)(H,18,19)/b14-9+ | 定義日: | 2020-04-30 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 4-[(~{E})-(5-oxidanylidenepentanoylhydrazinylidene)methyl]benzoic acid |
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![PXQ PXQ](https://data.pdbj.org/pdbjplus/data/cc/svg/PXQ.svg) | PXQ | 表記: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid | 組成式: | C33 H42 N4 O6 | SMILES: | CC[CH]1[CH](C)C(=O)N=C1Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)CC)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C | InChi: | InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13,19-20,34-35H,7-12,14-15H2,1-6H3,(H,36,43)(H,38,39)(H,40,41)/b26-13-/t19-,20-/m1/s1 | 定義日: | 2020-05-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
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![S40 S40](https://data.pdbj.org/pdbjplus/data/cc/svg/S40.svg) | S40 | 表記: | 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide | 組成式: | C23 H23 N3 O3 S | SMILES: | Cc1ccc(cc1N[S](=O)(=O)c2ccc(cc2)C3CC3)C(=O)NCc4cccnc4 | InChi: | InChI=1S/C23H23N3O3S/c1-16-4-5-20(23(27)25-15-17-3-2-12-24-14-17)13-22(16)26-30(28,29)21-10-8-19(9-11-21)18-6-7-18/h2-5,8-14,18,26H,6-7,15H2,1H3,(H,25,27) | 定義日: | 2020-01-21 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-~{N}-(pyridin-3-ylmethyl)benzamide |
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![T4H T4H](https://data.pdbj.org/pdbjplus/data/cc/svg/T4H.svg) | T4H | 表記: | 3-Chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide | 組成式: | C12 H11 Cl N2 O3 S | SMILES: | Clc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O | InChi: | InChI=1S/C12H11ClN2O3S/c13-9-3-1-2-8(6-9)11(17)14-4-5-15-10(16)7-19-12(15)18/h1-3,6H,4-5,7H2,(H,14,17) | 別名: | ~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-chloranyl-benzamide | 定義日: | 2020-12-14 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | ~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-chloranyl-benzamide |
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![U9V U9V](https://data.pdbj.org/pdbjplus/data/cc/svg/U9V.svg) | U9V | 表記: | pentadecyl(tetradecyl)peroxyanhydride | 組成式: | C33 H64 O4 | SMILES: | O(C(=O)CCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCC | InChi: | InChI=1S/C33H64O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(35)37-31-30-36-32(34)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3 | 定義日: | 2020-05-05 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 2-(pentadecanoyloxy)ethyl hexadecanoate |
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![V7D V7D](https://data.pdbj.org/pdbjplus/data/cc/svg/V7D.svg) | V7D | 表記: | 2,2-diamino-4-[(S)-({(2S)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(hydroxy)phosphanyl]butanoic acid | 組成式: | C16 H24 N3 O7 P | SMILES: | OC(=O)C(N)(N)CCP(Oc1ccccc1)OC(CC)C(NCC(O)=O)=O | InChi: | InChI=1S/C16H24N3O7P/c1-2-12(14(22)19-10-13(20)21)26-27(9-8-16(17,18)15(23)24)25-11-6-4-3-5-7-11/h3-7,12H,2,8-10,17-18H2,1H3,(H,19,22)(H,20,21)(H,23,24)/t12-,27-/m0/s1 | 定義日: | 2020-07-13 | 最終更新日: | 2021-01-12 | 公開日: | 2020-11-25 | 識別子(ID): | 2,2-diamino-4-[(R)-({(2S)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(phenoxy)phosphanyl]butanoic acid |
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![VOJ VOJ](https://data.pdbj.org/pdbjplus/data/cc/svg/VOJ.svg) | VOJ | 表記: | 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine | 組成式: | C20 H19 F N6 O | SMILES: | n3c(c(OC(c2cc(ccc2n1cccn1)F)C)cc(c3)c4cnnc4C)N | InChi: | InChI=1S/C20H19FN6O/c1-12-17(11-24-26-12)14-8-19(20(22)23-10-14)28-13(2)16-9-15(21)4-5-18(16)27-7-3-6-25-27/h3-11,13H,1-2H3,(H2,22,23)(H,24,26)/t13-/m0/s1 | 定義日: | 2020-08-31 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine |
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![VOM VOM](https://data.pdbj.org/pdbjplus/data/cc/svg/VOM.svg) | VOM | 表記: | 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide | 組成式: | C21 H18 F N5 O2 | SMILES: | c1c(c(ccc1F)n2nccc2)C(Oc4c(nc3c(cc(cc3)C(N)=O)c4)N)C | InChi: | InChI=1S/C21H18FN5O2/c1-12(16-11-15(22)4-6-18(16)27-8-2-7-25-27)29-19-10-14-9-13(21(24)28)3-5-17(14)26-20(19)23/h2-12H,1H3,(H2,23,26)(H2,24,28)/t12-/m0/s1 | 定義日: | 2020-08-31 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide |
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![VOP VOP](https://data.pdbj.org/pdbjplus/data/cc/svg/VOP.svg) | VOP | 表記: | [6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-1H-indazol-1-yl]acetic acid | 組成式: | C23 H19 F N6 O3 | SMILES: | c1c(c(cc2cnn(c12)CC(O)=O)n3nccc3)C(C)Oc4c(nc5c(c4)cc(cc5)F)N | InChi: | InChI=1S/C23H19FN6O3/c1-13(33-21-9-14-7-16(24)3-4-18(14)28-23(21)25)17-10-19-15(11-27-30(19)12-22(31)32)8-20(17)29-6-2-5-26-29/h2-11,13H,12H2,1H3,(H2,25,28)(H,31,32)/t13-/m0/s1 | 定義日: | 2020-08-31 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | [6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-1H-indazol-1-yl]acetic acid |
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![YK8 YK8](https://data.pdbj.org/pdbjplus/data/cc/svg/YK8.svg) | YK8 | 表記: | 20alpha-hydroxy-20-(5-methylhexyl)cholesterol | 組成式: | C28 H48 O2 | SMILES: | CC(C)CCCC[C](C)(O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C | InChi: | InChI=1S/C28H48O2/c1-19(2)8-6-7-15-28(5,30)25-12-11-23-22-10-9-20-18-21(29)13-16-26(20,3)24(22)14-17-27(23,25)4/h9,19,21-25,29-30H,6-8,10-18H2,1-5H3/t21-,22-,23-,24-,25-,26-,27-,28-/m0/s1 | 定義日: | 2020-11-17 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | (3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-10,13-dimethyl-17-[(2~{S})-7-methyl-2-oxidanyl-octan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol |
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![VR4 VR4](https://data.pdbj.org/pdbjplus/data/cc/svg/VR4.svg) | VR4 | 表記: | N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide | 組成式: | C29 H38 N4 O6 | SMILES: | C(c1ccccc1)OC(NC(C(=O)NC(C(O)C(NCc2ccccc2)=O)CC3CCNC3=O)CC(C)C)=O | InChi: | InChI=1S/C29H38N4O6/c1-19(2)15-24(33-29(38)39-18-21-11-7-4-8-12-21)27(36)32-23(16-22-13-14-30-26(22)35)25(34)28(37)31-17-20-9-5-3-6-10-20/h3-12,19,22-25,34H,13-18H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)/t22-,23-,24-,25+/m0/s1 | 別名: | GC376 alpha-ketoamide analog (bound form) | 定義日: | 2020-09-09 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide |
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![VR7 VR7](https://data.pdbj.org/pdbjplus/data/cc/svg/VR7.svg) | VR7 | 表記: | 2-hydroxy-5-(thiophen-3-yl)benzoic acid | 組成式: | C11 H8 O3 S | SMILES: | c1c(ccc(c1C(O)=O)O)c2ccsc2 | InChi: | InChI=1S/C11H8O3S/c12-10-2-1-7(5-9(10)11(13)14)8-3-4-15-6-8/h1-6,12H,(H,13,14) | 定義日: | 2020-09-09 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 2-hydroxy-5-(thiophen-3-yl)benzoic acid |
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