![UYM UYM](https://data.pdbj.org/pdbjplus/data/cc/svg/UYM.svg) | UYM | 表記: | (3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione | 組成式: | C22 H20 N4 O2 | SMILES: | n4cc(CC3C(NC(Cc2c1c(cccc1)nc2)C(=O)N3)=O)c5c4cccc5 | InChi: | InChI=1S/C22H20N4O2/c27-21-19(9-13-11-23-17-7-3-1-5-15(13)17)25-22(28)20(26-21)10-14-12-24-18-8-4-2-6-16(14)18/h1-8,11-12,19-20,23-24H,9-10H2,(H,25,28)(H,26,27)/t19-,20-/m0/s1 | 定義日: | 2020-06-05 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | (3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione |
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![ZQM ZQM](https://data.pdbj.org/pdbjplus/data/cc/svg/ZQM.svg) | ZQM | 表記: | N-{2-[(propan-2-yl)sulfanyl]phenyl}urea | 組成式: | C10 H14 N2 O S | SMILES: | CC(C)Sc1ccccc1NC(N)=O | InChi: | InChI=1S/C10H14N2OS/c1-7(2)14-9-6-4-3-5-8(9)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13) | 定義日: | 2021-05-19 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | N-{2-[(propan-2-yl)sulfanyl]phenyl}urea |
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![V0A V0A](https://data.pdbj.org/pdbjplus/data/cc/svg/V0A.svg) | V0A | 表記: | (3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione | 組成式: | C22 H27 N O5 | SMILES: | C2(C)C1CC=C(C(O1)(C)OC2C(C)[C@H]=C(C)[C@H]=[C@H]/C(O)=C3/C(C=NC3=O)=O)C | InChi: | InChI=1S/C22H27NO5/c1-12(6-8-16(24)19-17(25)11-23-21(19)26)10-13(2)20-15(4)18-9-7-14(3)22(5,27-18)28-20/h6-8,10-11,13,15,18,20,24H,9H2,1-5H3/b8-6+,12-10+,19-16+/t13-,15+,18-,20-,22-/m1/s1 | 別名: | Tirandamycin C | 定義日: | 2020-06-09 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | (3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione |
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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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![V0Q V0Q](https://data.pdbj.org/pdbjplus/data/cc/svg/V0Q.svg) | V0Q | 表記: | [4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol | 組成式: | C13 H20 N2 O3 S | SMILES: | CCN1CCN(CC1)[S](=O)(=O)c2ccc(CO)cc2 | InChi: | InChI=1S/C13H20N2O3S/c1-2-14-7-9-15(10-8-14)19(17,18)13-5-3-12(11-16)4-6-13/h3-6,16H,2,7-11H2,1H3 | 定義日: | 2021-04-01 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | [4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol |
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![V0T V0T](https://data.pdbj.org/pdbjplus/data/cc/svg/V0T.svg) | V0T | 表記: | 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol | 組成式: | C12 H17 N O4 S | SMILES: | OCc1ccc(cc1)[S](=O)(=O)N2CCC(O)CC2 | InChi: | InChI=1S/C12H17NO4S/c14-9-10-1-3-12(4-2-10)18(16,17)13-7-5-11(15)6-8-13/h1-4,11,14-15H,5-9H2 | 定義日: | 2021-04-01 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol |
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![V0W V0W](https://data.pdbj.org/pdbjplus/data/cc/svg/V0W.svg) | V0W | 表記: | 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane | 組成式: | C13 H20 N2 O2 S | SMILES: | CN1CCCN(CC1)[S](=O)(=O)c2ccc(C)cc2 | InChi: | InChI=1S/C13H20N2O2S/c1-12-4-6-13(7-5-12)18(16,17)15-9-3-8-14(2)10-11-15/h4-7H,3,8-11H2,1-2H3 | 定義日: | 2021-04-01 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane |
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![V1H V1H](https://data.pdbj.org/pdbjplus/data/cc/svg/V1H.svg) | V1H | 表記: | 3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine | 組成式: | C11 H15 N O3 S | SMILES: | COC1CN(C1)[S](=O)(=O)c2ccc(C)cc2 | InChi: | InChI=1S/C11H15NO3S/c1-9-3-5-11(6-4-9)16(13,14)12-7-10(8-12)15-2/h3-6,10H,7-8H2,1-2H3 | 定義日: | 2021-04-06 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine |
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![V1K V1K](https://data.pdbj.org/pdbjplus/data/cc/svg/V1K.svg) | V1K | 表記: | 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole | 組成式: | C15 H13 Cl N2 O3 S | SMILES: | COc1ccc2nc(Cl)n(c2c1)[S](=O)(=O)c3ccc(C)cc3 | InChi: | InChI=1S/C15H13ClN2O3S/c1-10-3-6-12(7-4-10)22(19,20)18-14-9-11(21-2)5-8-13(14)17-15(18)16/h3-9H,1-2H3 | 定義日: | 2021-04-06 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole |
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![V1Q V1Q](https://data.pdbj.org/pdbjplus/data/cc/svg/V1Q.svg) | V1Q | 表記: | 4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide | 組成式: | C11 H13 N3 O2 S | SMILES: | Cn1ccc(N[S](=O)(=O)c2ccc(C)cc2)n1 | InChi: | InChI=1S/C11H13N3O2S/c1-9-3-5-10(6-4-9)17(15,16)13-11-7-8-14(2)12-11/h3-8H,1-2H3,(H,12,13) | 定義日: | 2021-04-06 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide |
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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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![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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![G6U G6U](https://data.pdbj.org/pdbjplus/data/cc/svg/G6U.svg) | G6U | 表記: | ~{N}-[(~{E})-3-[3,5-bis(trifluoromethyl)phenyl]sulfinylprop-2-enyl]-3-methyl-butan-1-amine | 組成式: | C16 H19 F6 N O S | SMILES: | CC(C)CCNCC=C[S](=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F | InChi: | InChI=1S/C16H19F6NOS/c1-11(2)4-6-23-5-3-7-25(24)14-9-12(15(17,18)19)8-13(10-14)16(20,21)22/h3,7-11,23H,4-6H2,1-2H3/b7-3+/t25-/m0/s1 | 定義日: | 2020-08-03 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | ~{N}-[(~{E})-3-[3,5-bis(trifluoromethyl)phenyl]sulfinylprop-2-enyl]-3-methyl-butan-1-amine |
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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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![8Y9 8Y9](https://data.pdbj.org/pdbjplus/data/cc/svg/8Y9.svg) | 8Y9 | 表記: | [(2~{R},3~{S},5~{R})-5-[(5~{S})-5-carbamimidamido-2,4-bis(oxidanylidene)imidazolidin-1-yl]-3-oxidanyl-oxolan-2-yl]methy
l dihydrogen phosphate | 組成式: | C9 H16 N5 O8 P | SMILES: | NC(=N)N[CH]1N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O | InChi: | InChI=1S/C9H16N5O8P/c10-8(11)12-6-7(16)13-9(17)14(6)5-1-3(15)4(22-5)2-21-23(18,19)20/h3-6,15H,1-2H2,(H4,10,11,12)(H,13,16,17)(H2,18,19,20)/t3-,4+,5+,6-/m0/s1 | 別名: | (S)-Gh | 定義日: | 2017-11-07 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | [(2~{R},3~{S},5~{R})-5-[(5~{S})-5-carbamimidamido-2,4-bis(oxidanylidene)imidazolidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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![06M 06M](https://data.pdbj.org/pdbjplus/data/cc/svg/06M.svg) | 06M | 表記: | 6-(but-3-en-1-yl)-4-[6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one | 組成式: | C26 H25 N7 O2 S | SMILES: | CS(=N)(=O)C1(CC1)c1cc(nc(n1)c1ccnc2[NH]ccc21)C1=CN(CCC=C)C(=O)c2[NH]ccc12 | InChi: | InChI=1S/C26H25N7O2S/c1-3-4-13-33-15-19(16-5-10-28-22(16)25(33)34)20-14-21(26(8-9-26)36(2,27)35)32-24(31-20)18-7-12-30-23-17(18)6-11-29-23/h3,5-7,10-12,14-15,27-28H,1,4,8-9,13H2,2H3,(H,29,30)/t36-/m1/s1 | 定義日: | 2021-06-03 | 最終更新日: | 2021-06-04 | 公開日: | 2021-06-09 | 識別子(ID): | 6-(but-3-en-1-yl)-4-[6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one |
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![HJ9 HJ9](https://data.pdbj.org/pdbjplus/data/cc/svg/HJ9.svg) | HJ9 | 表記: | [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid | 組成式: | C23 H21 B N4 O5 | SMILES: | COc1cc(B(O)O)c(C=O)cc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C | InChi: | InChI=1S/C23H21BN4O5/c1-28(2)23(30)15-4-13(8-25-9-15)14-5-18-19(11-27-22(18)26-10-14)17-6-16(12-29)20(24(31)32)7-21(17)33-3/h4-12,31-32H,1-3H3,(H,26,27) | 定義日: | 2021-01-13 | 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-methanoyl-5-methoxy-phenyl]boronic 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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![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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