![ZOG ZOG](https://data.pdbj.org/pdbjplus/data/cc/svg/ZOG.svg) | ZOG | 表記: | 4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid | 組成式: | C21 H21 F2 N O5 S | SMILES: | O=S(=O)(c1ccc(cc1)C(=O)CCC(=O)O)N1CCC(CC1)c1ccc(F)c(F)c1 | InChi: | InChI=1S/C21H21F2NO5S/c22-18-6-3-16(13-19(18)23)14-9-11-24(12-10-14)30(28,29)17-4-1-15(2-5-17)20(25)7-8-21(26)27/h1-6,13-14H,7-12H2,(H,26,27) | 定義日: | 2021-05-14 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid |
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![ZPV ZPV](https://data.pdbj.org/pdbjplus/data/cc/svg/ZPV.svg) | ZPV | 表記: | N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine | 組成式: | C20 H21 F N2 O5 S | SMILES: | O=S(=O)(c1ccc(C(=O)NCC(=O)O)c(F)c1)N1CCC(CC1)c1ccccc1 | InChi: | InChI=1S/C20H21FN2O5S/c21-18-12-16(6-7-17(18)20(26)22-13-19(24)25)29(27,28)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,22,26)(H,24,25) | 定義日: | 2021-05-18 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine |
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![ZQ1 ZQ1](https://data.pdbj.org/pdbjplus/data/cc/svg/ZQ1.svg) | ZQ1 | 表記: | N-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine | 組成式: | C19 H20 Cl N3 O5 S | SMILES: | O=S(=O)(c1ccc(nc1)C(=O)NCC(=O)O)N1CCC(CC1)c1ccc(Cl)cc1 | InChi: | InChI=1S/C19H20ClN3O5S/c20-15-3-1-13(2-4-15)14-7-9-23(10-8-14)29(27,28)16-5-6-17(21-11-16)19(26)22-12-18(24)25/h1-6,11,14H,7-10,12H2,(H,22,26)(H,24,25) | 定義日: | 2021-05-18 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | N-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine |
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![FXR FXR](https://data.pdbj.org/pdbjplus/data/cc/svg/FXR.svg) | FXR | 表記: | 6-azanyl-11-methyl-2-oxidanylidene-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^3,8]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide | 組成式: | C19 H16 N6 O2 | SMILES: | CC1=CC=CN2C(=O)c3cc(c(N)nc3N=C12)C(=O)NCc4cccnc4 | InChi: | InChI=1S/C19H16N6O2/c1-11-4-3-7-25-17(11)24-16-14(19(25)27)8-13(15(20)23-16)18(26)22-10-12-5-2-6-21-9-12/h2-9H,10H2,1H3,(H2,20,23)(H,22,26) | 定義日: | 2020-07-05 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 6-azanyl-11-methyl-2-oxidanylidene-~{N}-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide |
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![GEC GEC](https://data.pdbj.org/pdbjplus/data/cc/svg/GEC.svg) | GEC | 表記: | 4-[(3S,3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol | 組成式: | C20 H22 O6 | SMILES: | COc1cc(ccc1O)[CH]2OC[CH]3[CH]2CO[CH]3c4ccc(O)c(OC)c4 | InChi: | InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1 | 別名: | (+)-pinoresinol | 定義日: | 2020-08-22 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 4-[(3~{S},3~{a}~{R},6~{S},6~{a}~{R})-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3~{a},4,6,6~{a}-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol |
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![GEF GEF](https://data.pdbj.org/pdbjplus/data/cc/svg/GEF.svg) | GEF | 表記: | 4-[(3R,3aS,6R,6aS)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol | 組成式: | C20 H22 O6 | SMILES: | COc1cc(ccc1O)[CH]2OC[CH]3[CH]2CO[CH]3c4ccc(O)c(OC)c4 | InChi: | InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m1/s1 | 別名: | (-)-pinoresinol | 定義日: | 2020-08-22 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 4-[(3~{R},3~{a}~{S},6~{R},6~{a}~{S})-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3~{a},4,6,6~{a}-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol |
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![GFR GFR](https://data.pdbj.org/pdbjplus/data/cc/svg/GFR.svg) | GFR | 表記: | 4-[[(3S,4S,5R)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol | 組成式: | C20 H24 O6 | SMILES: | COc1cc(C[CH]2CO[CH]([CH]2CO)c3ccc(O)c(OC)c3)ccc1O | InChi: | InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m1/s1 | 別名: | (-)-Lariciresinol | 定義日: | 2020-08-27 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 4-[[(3~{S},4~{S},5~{R})-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol |
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![GFU GFU](https://data.pdbj.org/pdbjplus/data/cc/svg/GFU.svg) | GFU | 表記: | 4-[[(3R,4R,5S)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol | 組成式: | C20 H24 O6 | SMILES: | COc1cc(C[CH]2CO[CH]([CH]2CO)c3ccc(O)c(OC)c3)ccc1O | InChi: | InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1 | 別名: | (+)-Lariciresinol | 定義日: | 2020-08-27 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 4-[[(3~{R},4~{R},5~{S})-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol |
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![GNU GNU](https://data.pdbj.org/pdbjplus/data/cc/svg/GNU.svg) | GNU | 表記: | (2S,3S)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol | 組成式: | C20 H26 O6 | SMILES: | COc1cc(C[CH](CO)[CH](CO)Cc2ccc(O)c(OC)c2)ccc1O | InChi: | InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m1/s1 | 別名: | (+)-secoisolariciresinol | 定義日: | 2020-09-04 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | (2~{S},3~{S})-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol |
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![GO6 GO6](https://data.pdbj.org/pdbjplus/data/cc/svg/GO6.svg) | GO6 | 表記: | (2R,3R)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol | 組成式: | C20 H26 O6 | SMILES: | COc1cc(C[CH](CO)[CH](CO)Cc2ccc(O)c(OC)c2)ccc1O | InChi: | InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1 | 別名: | (-)-secoisolariciresinol | 定義日: | 2020-09-04 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | (2~{R},3~{R})-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol |
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![QRE QRE](https://data.pdbj.org/pdbjplus/data/cc/svg/QRE.svg) | QRE | 表記: | 2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid | 組成式: | C27 H26 N2 O7 S | SMILES: | OC(=O)CCCCCNC(=S)Nc1ccc([CH]2c3ccc(O)cc3Oc4cc(O)ccc24)c(c1)C(O)=O | InChi: | InChI=1S/C27H26N2O7S/c30-16-6-9-19-22(13-16)36-23-14-17(31)7-10-20(23)25(19)18-8-5-15(12-21(18)26(34)35)29-27(37)28-11-3-1-2-4-24(32)33/h5-10,12-14,25,30-31H,1-4,11H2,(H,32,33)(H,34,35)(H2,28,29,37) | 定義日: | 2020-07-29 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid |
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![QRH QRH](https://data.pdbj.org/pdbjplus/data/cc/svg/QRH.svg) | QRH | 表記: | (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide | 組成式: | C36 H38 N O3 P | SMILES: | O=C(NCCCCCC[PH](c1ccccc1)(c2ccccc2)c3ccccc3)C=CC=Cc4ccc5OCOc5c4 | InChi: | InChI=1S/C36H38NO3P/c38-36(23-13-12-16-30-24-25-34-35(28-30)40-29-39-34)37-26-14-1-2-15-27-41(31-17-6-3-7-18-31,32-19-8-4-9-20-32)33-21-10-5-11-22-33/h3-13,16-25,28,41H,1-2,14-15,26-27,29H2,(H,37,38)/b16-12+,23-13+ | 定義日: | 2020-07-29 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide |
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![Q5Q Q5Q](https://data.pdbj.org/pdbjplus/data/cc/svg/Q5Q.svg) | Q5Q | 表記: | 3,6-dibromo-1-(hydroxymethyl)carbazole | 組成式: | C13 H9 Br2 N O | SMILES: | Cc1ccc2[nH]c3c(O)cc(Br)c(Br)c3c2c1 | InChi: | InChI=1S/C13H9Br2NO/c1-6-2-3-9-7(4-6)11-12(15)8(14)5-10(17)13(11)16-9/h2-5,16-17H,1H3 | 別名: | 3,4-bis(bromanyl)-6-methyl-9~{H}-carbazol-1-ol | 定義日: | 2020-05-18 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 3,4-bis(bromanyl)-6-methyl-9~{H}-carbazol-1-ol |
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![QBZ QBZ](https://data.pdbj.org/pdbjplus/data/cc/svg/QBZ.svg) | QBZ | 表記: | (2~{S},3~{S})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{E})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz
ol-1-yl)butanoic acid | 組成式: | C10 H13 N4 O6 S | SMILES: | C[C](Cn1ccnn1)([CH](N=CCC(O)=O)C(O)=O)[S-](=O)=O | InChi: | InChI=1S/C10H13N4O6S/c1-10(21(19)20,6-14-5-4-12-13-14)8(9(17)18)11-3-2-7(15)16/h3-5,8H,2,6H2,1H3,(H,15,16)(H,17,18)/q-1/b11-3+/t8-,10-/m0/s1 | 別名: | Tazobactam imine intermediate | 定義日: | 2020-06-04 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | (2~{S},3~{S})-3-methyl-2-[(~{E})-(3-oxidanyl-3-oxidanylidene-propylidene)amino]-3-sulfinato-4-(1,2,3-triazol-1-yl)butanoic acid |
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![FVC FVC](https://data.pdbj.org/pdbjplus/data/cc/svg/FVC.svg) | FVC | 表記: | [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid | 組成式: | C22 H21 B N4 O3 | SMILES: | CN(C)C(=O)c1cncc(c1)c2cnc3[nH]cc(c4ccc(B(O)O)c(C)c4)c3c2 | InChi: | InChI=1S/C22H21BN4O3/c1-13-6-14(4-5-20(13)23(29)30)19-12-26-21-18(19)8-16(11-25-21)15-7-17(10-24-9-15)22(28)27(2)3/h4-12,29-30H,1-3H3,(H,25,26) | 定義日: | 2020-06-18 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid |
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![S5K S5K](https://data.pdbj.org/pdbjplus/data/cc/svg/S5K.svg) | S5K | 表記: | [(1R)-2-(1-benzofuran-3-yl)-1-{[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]formamido}ethyl]boronic acid | 組成式: | C17 H20 B N O5 | SMILES: | OB(O)[CH](Cc1coc2ccccc12)NC(=O)[CH]3C[CH]4CC[CH]3O4 | InChi: | InChI=1S/C17H20BNO5/c20-17(13-8-11-5-6-15(13)24-11)19-16(18(21)22)7-10-9-23-14-4-2-1-3-12(10)14/h1-4,9,11,13,15-16,21-22H,5-8H2,(H,19,20)/t11-,13-,15+,16+/m1/s1 | 別名: | [(1~{R})-2-(1-benzofuran-3-yl)-1-[[(1~{S},2~{R},4~{R})-7-oxabicyclo[2.2.1]heptan-2-yl]carbonylamino]ethyl]boronic acid | 定義日: | 2020-11-08 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | [(1~{R})-2-(1-benzofuran-3-yl)-1-[[(1~{S},2~{R},4~{R})-7-oxabicyclo[2.2.1]heptan-2-yl]carbonylamino]ethyl]boronic acid |
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![S9E S9E](https://data.pdbj.org/pdbjplus/data/cc/svg/S9E.svg) | S9E | 表記: | 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde | 組成式: | C9 H6 Br N3 O | SMILES: | Brc1nccn1c2ccc(C=O)cn2 | InChi: | InChI=1S/C9H6BrN3O/c10-9-11-3-4-13(9)8-2-1-7(6-14)5-12-8/h1-6H | 定義日: | 2020-11-12 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde |
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![TWQ TWQ](https://data.pdbj.org/pdbjplus/data/cc/svg/TWQ.svg) | TWQ | 表記: | 3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde | 組成式: | C13 H16 N2 O4 | SMILES: | CO[CH]1CCCN(C1)c2cc(C=O)ccc2[N](=O)=O | InChi: | InChI=1S/C13H16N2O4/c1-19-11-3-2-6-14(8-11)13-7-10(9-16)4-5-12(13)15(17)18/h4-5,7,9,11H,2-3,6,8H2,1H3/t11-/m0/s1 | 定義日: | 2021-01-14 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde |
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![TZH TZH](https://data.pdbj.org/pdbjplus/data/cc/svg/TZH.svg) | TZH | 表記: | (5-methyl-2-nitro-phenyl) cyclobutanecarboxylate | 組成式: | C12 H14 N O4 | SMILES: | Cc1ccc(c(OC(=O)C2CCC2)c1)[N+](O)=O | InChi: | InChI=1S/C12H14NO4/c1-8-5-6-10(13(15)16)11(7-8)17-12(14)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,15,16)/q+1 | 定義日: | 2021-01-14 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | (2-cyclobutylcarbonyloxy-4-methyl-phenyl)-oxidanyl-oxidanylidene-azanium |
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![TZW TZW](https://data.pdbj.org/pdbjplus/data/cc/svg/TZW.svg) | TZW | 表記: | 4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde | 組成式: | C12 H14 N2 O4 | SMILES: | OC1CCN(CC1)c2cc(C=O)ccc2[N](=O)=O | InChi: | InChI=1S/C12H14N2O4/c15-8-9-1-2-11(14(17)18)12(7-9)13-5-3-10(16)4-6-13/h1-2,7-8,10,16H,3-6H2 | 定義日: | 2021-01-15 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde |
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![U1B U1B](https://data.pdbj.org/pdbjplus/data/cc/svg/U1B.svg) | U1B | 表記: | 4-nitro-3-[(3S)-3-oxidanylpiperidin-1-yl]benzaldehyde | 組成式: | C12 H14 N2 O4 | SMILES: | O[CH]1CCCN(C1)c2cc(C=O)ccc2[N](=O)=O | InChi: | InChI=1S/C12H14N2O4/c15-8-9-3-4-11(14(17)18)12(6-9)13-5-1-2-10(16)7-13/h3-4,6,8,10,16H,1-2,5,7H2/t10-/m0/s1 | 別名: | 4-nitro-3-[(3~{S})-3-oxidanylpiperidin-1-yl]benzaldehyde | 定義日: | 2021-01-17 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 4-nitro-3-[(3~{S})-3-oxidanylpiperidin-1-yl]benzaldehyde |
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![TG8 TG8](https://data.pdbj.org/pdbjplus/data/cc/svg/TG8.svg) | TG8 | 表記: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate | 組成式: | C18 H22 N6 O11 P2 | SMILES: | CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(=O)O[P](O)(O)=O)n3cnc4c(N)ncnc34 | InChi: | InChI=1S/C18H22N6O11P2/c1-20-10-5-3-2-4-9(10)18(26)34-14-11(6-32-37(30,31)35-36(27,28)29)33-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,30,31)(H2,19,21,22)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1 | 定義日: | 2020-12-22 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate |
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![TGB TGB](https://data.pdbj.org/pdbjplus/data/cc/svg/TGB.svg) | TGB | 表記: | [[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[2-(methylamino)phenyl]carbonyloxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid | 組成式: | C18 H23 N6 O13 P3 S | SMILES: | CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(=O)O[P](O)(=O)O[P](O)(S)=O)n3cnc4c(N)ncnc34 | InChi: | InChI=1S/C18H23N6O13P3S/c1-20-10-5-3-2-4-9(10)18(26)35-14-11(6-33-38(27,28)36-39(29,30)37-40(31,32)41)34-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,27,28)(H,29,30)(H2,19,21,22)(H2,31,32,41)/t11-,13-,14-,17-/m1/s1 | 定義日: | 2020-12-22 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | [[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[2-(methylamino)phenyl]carbonyloxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid |
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![TK2 TK2](https://data.pdbj.org/pdbjplus/data/cc/svg/TK2.svg) | TK2 | 表記: | 2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine | 組成式: | C30 H30 N4 O | SMILES: | Cc1c(COc2ccc3nc(CN)c(NCCc4ccccc4)n3c2)cccc1c5ccccc5 | InChi: | InChI=1S/C30H30N4O/c1-22-25(13-8-14-27(22)24-11-6-3-7-12-24)21-35-26-15-16-29-33-28(19-31)30(34(29)20-26)32-18-17-23-9-4-2-5-10-23/h2-16,20,32H,17-19,21,31H2,1H3 | 定義日: | 2020-12-23 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine |
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![UG8 UG8](https://data.pdbj.org/pdbjplus/data/cc/svg/UG8.svg) | UG8 | 表記: | 4-piperidin-1-ylsulfonylbenzaldehyde | 組成式: | C12 H15 N O3 S | SMILES: | O=Cc1ccc(cc1)[S](=O)(=O)N2CCCCC2 | InChi: | InChI=1S/C12H15NO3S/c14-10-11-4-6-12(7-5-11)17(15,16)13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2 | 定義日: | 2021-02-16 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 4-piperidin-1-ylsulfonylbenzaldehyde |
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