![B7A B7A](https://data.pdbj.org/pdbjplus/data/cc/svg/B7A.svg) | B7A | 表記: | 2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate) | 組成式: | C10 H15 N2 O15 P3 | SMILES: | C2(COP(=O)(O)OP(O)(OP(=O)(O)O)=O)C(CC(N1C(NC(C(C=O)=C1)=O)=O)O2)O | InChi: | InChI=1S/C10H15N2O15P3/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,6-8,14H,1,4H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1 | 別名: | 5-FodUTP | 定義日: | 2017-08-03 | 最終更新日: | 2021-03-01 | 公開日: | 2017-09-13 | 識別子(ID): | 2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate) |
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![B7J B7J](https://data.pdbj.org/pdbjplus/data/cc/svg/B7J.svg) | B7J | 表記: | 2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate) | 組成式: | C10 H16 N3 O14 P3 | SMILES: | C2(COP(=O)(O)OP(O)(OP(O)(O)=O)=O)C(CC(N1C(N=C(C(C=O)=C1)N)=O)O2)O | InChi: | InChI=1S/C10H16N3O14P3/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,6-8,15H,1,4H2,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1 | 別名: | 5-FodCTP | 定義日: | 2017-08-03 | 最終更新日: | 2021-03-01 | 公開日: | 2017-09-13 | 識別子(ID): | 2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate) |
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![B7P B7P](https://data.pdbj.org/pdbjplus/data/cc/svg/B7P.svg) | B7P | 表記: | 2'-deoxy-5-fluorouridine 5'-(tetrahydrogen triphosphate) | 組成式: | C9 H14 F N2 O14 P3 | SMILES: | C1=C(F)C(=O)NC(N1C2CC(O)C(O2)COP(=O)(O)OP(O)(OP(=O)(O)O)=O)=O | InChi: | InChI=1S/C9H14FN2O14P3/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h2,5-7,13H,1,3H2,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1 | 別名: | 5-FdUTP | 定義日: | 2017-08-03 | 最終更新日: | 2021-03-01 | 公開日: | 2017-09-13 | 識別子(ID): | 2'-deoxy-5-fluorouridine 5'-(tetrahydrogen triphosphate) |
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![B81 B81](https://data.pdbj.org/pdbjplus/data/cc/svg/B81.svg) | B81 | 表記: | (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol | 組成式: | C19 H30 O2 | SMILES: | OC4CCC1(C(=CCC2C1CCC3(C2CCC3O)C)C4)C | InChi: | InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1 | 別名: | 5-Androstenediol | 定義日: | 2009-07-29 | 最終更新日: | 2021-03-01 | 識別子(ID): | (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol |
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![B82 B82](https://data.pdbj.org/pdbjplus/data/cc/svg/B82.svg) | B82 | 表記: | 2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid | 組成式: | C18 H19 Br N2 O5 S | SMILES: | CCN(CC)[S](=O)(=O)c1cc(ccc1Br)C(=O)Nc2ccccc2C(O)=O | InChi: | InChI=1S/C18H19BrN2O5S/c1-3-21(4-2)27(25,26)16-11-12(9-10-14(16)19)17(22)20-15-8-6-5-7-13(15)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24) | 別名: | 2-({4-bromo-3-[(diethylamino)sulfonyl]benzoyl}amino)benzoic acid | 定義日: | 2009-08-10 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-[[4-bromo-3-(diethylsulfamoyl)phenyl]carbonylamino]benzoic acid |
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![B89 B89](https://data.pdbj.org/pdbjplus/data/cc/svg/B89.svg) | B89 | 表記: | (5S)-2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)cyclohex-2-en-1-one | 組成式: | C17 H24 Cl N O4 | SMILES: | Cl[C@H]=CCON=C(C=2C(=O)CC(C1CCOCC1)CC=2O)CC | InChi: | InChI=1S/C17H24ClNO4/c1-2-14(19-23-7-3-6-18)17-15(20)10-13(11-16(17)21)12-4-8-22-9-5-12/h3,6,12-13,20H,2,4-5,7-11H2,1H3/b6-3+,19-14+/t13-/m0/s1 | 別名: | tepraloxydim | 定義日: | 2009-10-19 | 最終更新日: | 2021-03-01 | 識別子(ID): | (5S)-2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)cyclohex-2-en-1-one |
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![B8L B8L](https://data.pdbj.org/pdbjplus/data/cc/svg/B8L.svg) | B8L | 表記: | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | 組成式: | C32 H36 N2 O7 | SMILES: | O=C(c1cc(OC)ccc1O)c2ccc(cc2)C(=O)OC4CCCNCC4NC(=O)c3ccc(O)c(c3)C(C)CC | InChi: | InChI=1S/C32H36N2O7/c1-4-19(2)24-16-22(11-13-27(24)35)31(38)34-26-18-33-15-5-6-29(26)41-32(39)21-9-7-20(8-10-21)30(37)25-17-23(40-3)12-14-28(25)36/h7-14,16-17,19,26,29,33,35-36H,4-6,15,18H2,1-3H3,(H,34,38)/t19-,26+,29+/m0/s1 | 別名: | BALANOL ANALOG 8 | 定義日: | 2003-12-03 | 最終更新日: | 2021-03-01 | 識別子(ID): | (3R,4R)-3-[({4-hydroxy-3-[(1S)-1-methylpropyl]phenyl}carbonyl)amino]azepan-4-yl 4-[(2-hydroxy-5-methoxyphenyl)carbonyl]benzoate |
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![BA0 BA0](https://data.pdbj.org/pdbjplus/data/cc/svg/BA0.svg) | BA0 | 表記: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide | 組成式: | C27 H31 N5 O3 | SMILES: | C1CN(C(CC)=O)CCC1C3CCNc2c(C(N)=O)c(nn23)c4ccc(cc4)Oc5ccccc5 | InChi: | InChI=1S/C27H31N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h3-11,18,22,29H,2,12-17H2,1H3,(H2,28,34)/t22-/m0/s1 | 別名: | Zanubrutinib | 定義日: | 2019-01-30 | 最終更新日: | 2021-03-01 | 公開日: | 2019-10-23 | 識別子(ID): | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
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![BA5 BA5](https://data.pdbj.org/pdbjplus/data/cc/svg/BA5.svg) | BA5 | 表記: | methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate | 組成式: | C10 H9 N3 O4 | SMILES: | COC(=O)C1=C(N)c2cccnc2N(O)C1=O | InChi: | InChI=1S/C10H9N3O4/c1-17-10(15)6-7(11)5-3-2-4-12-8(5)13(16)9(6)14/h2-4,16H,11H2,1H3 | 別名: | XZ462 | 定義日: | 2017-09-29 | 最終更新日: | 2021-03-01 | 公開日: | 2018-04-11 | 識別子(ID): | methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate |
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![PGM PGM](https://data.pdbj.org/pdbjplus/data/cc/svg/PGM.svg) | PGM | 表記: | 1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)] | 組成式: | C22 H44 O9 P | SMILES: | O=C(OCC(O)COP([O-])(=O)OCC(O)CO)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h20-21,23-25H,2-19H2,1H3,(H,27,28)/p-1/t20-,21-/m0/s1 | 別名: | LYSOPHOSPHATIDYLGLYCEROL | 定義日: | 2002-12-12 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2S)-2,3-dihydroxypropyl (2S)-3-(hexadecanoyloxy)-2-hydroxypropyl phosphate |
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![BAG BAG](https://data.pdbj.org/pdbjplus/data/cc/svg/BAG.svg) | BAG | 表記: | N-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-2-HYDROXYVINYL]BENZAMIDE | 組成式: | C13 H19 N5 O2 | SMILES: | O=C(N/C(=C(/O)N)CCCNC(=[N@H])N)c1ccccc1 | InChi: | InChI=1S/C13H19N5O2/c14-11(19)10(7-4-8-17-13(15)16)18-12(20)9-5-2-1-3-6-9/h1-3,5-6,19H,4,7-8,14H2,(H,18,20)(H4,15,16,17) | 別名: | BENZOYL-L-ARGININE AMIDE | 定義日: | 2004-05-13 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-{(1E)-1-[amino(hydroxy)methylidene]-4-carbamimidamidobutyl}benzamide |
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![PGX PGX](https://data.pdbj.org/pdbjplus/data/cc/svg/PGX.svg) | PGX | 表記: | 7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-YL]-HEPT-5-ENOIC ACID | 組成式: | C20 H32 O6 | SMILES: | O=C(O)CCC/C=CCC2C1OOC(C1)C2/C=C/C(OO)CCCCC | InChi: | InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1 | 別名: | PROSTAGLANDIN G2 | 定義日: | 1999-11-10 | 最終更新日: | 2021-03-01 | 識別子(ID): | (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid |
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![PH1 PH1](https://data.pdbj.org/pdbjplus/data/cc/svg/PH1.svg) | PH1 | 表記: | 1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE | 組成式: | C43 H88 O2 | SMILES: | O(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)CC(OCCC(CCCC(CCCC(C)CCCC(C)C)C)C)C | InChi: | InChI=1S/C43H88O2/c1-35(2)18-12-20-37(5)22-14-24-39(7)26-16-28-41(9)30-32-44-34-43(11)45-33-31-42(10)29-17-27-40(8)25-15-23-38(6)21-13-19-36(3)4/h35-43H,12-34H2,1-11H3/t37-,38-,39-,40-,41-,42-,43+/m0/s1 | 別名: | PHYTANYL MOIETY | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | (3S,7S,11S,3'S,7'S,11'S)-1,1'-[(2R)-propane-1,2-diylbis(oxy)]bis(3,7,11,15-tetramethylhexadecane) |
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![BB1 BB1](https://data.pdbj.org/pdbjplus/data/cc/svg/BB1.svg) | BB1 | 表記: | 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE | 組成式: | C16 H31 N3 O4 | SMILES: | O=C(N(C)C)C(NC(=O)C(CCCC)CN(O)C=O)C(C)(C)C | InChi: | InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1 | 別名: | BB-3497 | 定義日: | 2000-10-22 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2R)-N-[(1S)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-2-{[formyl(hydroxy)amino]methyl}hexanamide |
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![BB2 BB2](https://data.pdbj.org/pdbjplus/data/cc/svg/BB2.svg) | BB2 | 表記: | ACTINONIN | 組成式: | C19 H35 N3 O5 | SMILES: | O=C(N1C(CO)CCC1)C(NC(=O)C(CC(=O)NO)CCCCC)C(C)C | InChi: | InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1 | 別名: | 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEPTANOIC ACID [1-(2-HYDROXYMETHYL-PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL]-AMIDE | 定義日: | 2000-10-23 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2R)-N~4~-hydroxy-N~1~-[(1S)-1-{[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-2-methylpropyl]-2-pentylbutanediamide |
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![PHJ PHJ](https://data.pdbj.org/pdbjplus/data/cc/svg/PHJ.svg) | PHJ | 表記: | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | 組成式: | C7 H8 N2 O2 | SMILES: | O=C(ON)Nc1ccccc1 | InChi: | InChI=1S/C7H8N2O2/c8-11-7(10)9-6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10) | 別名: | N-[(AMINOOXY)CARBONYL]ANILINE | 定義日: | 2003-10-27 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-[(aminooxy)carbonyl]aniline |
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![BBA BBA](https://data.pdbj.org/pdbjplus/data/cc/svg/BBA.svg) | BBA | 表記: | 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE | 組成式: | C23 H28 N4 O | SMILES: | O=C1C(CCCCC1Cc2ccc(C(=[N@H])N)cc2)Cc3ccc(C(=[N@H])N)cc3 | InChi: | InChI=1S/C23H28N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-12,19-20H,1-4,13-14H2,(H3,24,25)(H3,26,27)/t19-,20-/m0/s1 | 別名: | BIS-BENZAMIDINE | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | 4,4'-{[(1S,3S)-2-oxocycloheptane-1,3-diyl]dimethanediyl}dibenzenecarboximidamide |
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![PI4 PI4](https://data.pdbj.org/pdbjplus/data/cc/svg/PI4.svg) | PI4 | 表記: | 1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-11-YL)-2-HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE | 組成式: | C28 H43 N5 O6 | SMILES: | O=C(NC(C)(C)C)C1N(CCCC1)CC(O)C3NC(=O)C(NC(=O)CCCOc2ccc(cc2)C3)CC(=O)N | InChi: | InChI=1S/C28H43N5O6/c1-28(2,3)32-27(38)22-7-4-5-13-33(22)17-23(34)20-15-18-9-11-19(12-10-18)39-14-6-8-25(36)30-21(16-24(29)35)26(37)31-20/h9-12,20-23,34H,4-8,13-17H2,1-3H3,(H2,29,35)(H,30,36)(H,31,37)(H,32,38)/t20-,21-,22-,23+/m0/s1 | 別名: | MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 4 | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2S)-1-{(2R)-2-[(8S,11S)-8-(2-amino-2-oxoethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-hydroxyethyl}-N-tert-butylpiperidine-2-carboxamide |
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![PI5 PI5](https://data.pdbj.org/pdbjplus/data/cc/svg/PI5.svg) | PI5 | 表記: | N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14- TRIEN-11-YLAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL)-PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE | 組成式: | C37 H53 N5 O7 | SMILES: | O=C1N(CCC1)C(C(=O)NC(Cc2ccc(O)cc2)C(O)CNC4C(=O)NC(C(=O)NCCCOc3ccc(cc3)C4)C(C)CC)C(C)C | InChi: | InChI=1S/C37H53N5O7/c1-5-24(4)33-36(47)38-17-7-19-49-28-15-11-26(12-16-28)21-30(35(46)41-33)39-22-31(44)29(20-25-9-13-27(43)14-10-25)40-37(48)34(23(2)3)42-18-6-8-32(42)45/h9-16,23-24,29-31,33-34,39,43-44H,5-8,17-22H2,1-4H3,(H,38,47)(H,40,48)(H,41,46)/t24-,29-,30-,31+,33-,34-/m0/s1 | 別名: | MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 5 | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2S)-N-[(1S,2R)-2-hydroxy-1-(4-hydroxybenzyl)-3-{[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide |
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![PI6 PI6](https://data.pdbj.org/pdbjplus/data/cc/svg/PI6.svg) | PI6 | 表記: | [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER | 組成式: | C33 H48 N4 O6 | SMILES: | O=C(OC(C)(C)C)NC(Cc1ccccc1)C(O)CNC3C(=O)NC(C(=O)NCCCOc2ccc(cc2)C3)C(C)CC | InChi: | InChI=1S/C33H48N4O6/c1-6-22(2)29-31(40)34-17-10-18-42-25-15-13-24(14-16-25)20-27(30(39)37-29)35-21-28(38)26(19-23-11-8-7-9-12-23)36-32(41)43-33(3,4)5/h7-9,11-16,22,26-29,35,38H,6,10,17-21H2,1-5H3,(H,34,40)(H,36,41)(H,37,39)/t22-,26-,27-,28+,29-/m0/s1 | 別名: | MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 6 | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | tert-butyl [(2S,3R)-4-{[(8S,11S)-8-[(2S)-butan-2-yl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
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![PI8 PI8](https://data.pdbj.org/pdbjplus/data/cc/svg/PI8.svg) | PI8 | 表記: | N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE | 組成式: | C41 H54 N4 O6 | SMILES: | O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CNC5C(=O)NC(C(=O)NCCCCCOc4ccc(cc4)C5)C(C)CC | InChi: | InChI=1S/C41H54N4O6/c1-3-27(2)37-41(50)42-20-10-5-11-21-51-33-18-16-29(17-19-33)23-35(40(49)44-37)43-26-32(46)24-31(22-28-12-6-4-7-13-28)39(48)45-38-34-15-9-8-14-30(34)25-36(38)47/h4,6-9,12-19,27,31-32,35-38,43,46-47H,3,5,10-11,20-26H2,1-2H3,(H,42,50)(H,44,49)(H,45,48)/t27-,31+,32-,35-,36+,37-,38-/m0/s1 | 別名: | MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 8 | 定義日: | 1999-10-07 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2R,4S)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-{[(10S,13S)-10-[(1S)-1-methylpropyl]-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-13-yl]amino}pentanamide (non-preferred name) |
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![PIL PIL](https://data.pdbj.org/pdbjplus/data/cc/svg/PIL.svg) | PIL | 表記: | 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-METHOXYBENZAMIDE | 組成式: | C18 H18 Cl2 N2 O3 | SMILES: | Clc3c(NC(=O)c2ccc(OC)c(OC1CCCC1)c2)c(Cl)cnc3 | InChi: | InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | 別名: | PICLAMILAST | 定義日: | 2004-11-17 | 最終更新日: | 2021-03-01 | 識別子(ID): | 3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide |
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![BCH BCH](https://data.pdbj.org/pdbjplus/data/cc/svg/BCH.svg) | BCH | 表記: | 2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLETHANAMINIUM | 組成式: | C9 H20 N O S | SMILES: | O=C(SCC[N+](C)(C)C)CCC | InChi: | InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1 | 別名: | BUTYRYLTHIOCHOLINE | 定義日: | 2003-04-17 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-(butanoylsulfanyl)-N,N,N-trimethylethanaminium |
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![PJ2 PJ2](https://data.pdbj.org/pdbjplus/data/cc/svg/PJ2.svg) | PJ2 | 表記: | (5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid | 組成式: | C20 H30 O4 | SMILES: | O=C(O)CCC/C=CCC1C=CC(=O)C1=C/CC(O)CCCCC | InChi: | InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14-/t16-,17-/m0/s1 | 別名: | delta12-prostaglandine J2 | 定義日: | 2009-09-29 | 最終更新日: | 2021-03-01 | 識別子(ID): | (5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid |
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![BD2 BD2](https://data.pdbj.org/pdbjplus/data/cc/svg/BD2.svg) | BD2 | 表記: | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXYBENZOYL)BENZOATE | 組成式: | C27 H26 N2 O6 | SMILES: | O=C(c1ccccc1O)c2ccc(cc2)C(=O)OC4CCCNCC4NC(=O)c3ccc(O)cc3 | InChi: | InChI=1S/C27H26N2O6/c30-20-13-11-18(12-14-20)26(33)29-22-16-28-15-3-6-24(22)35-27(34)19-9-7-17(8-10-19)25(32)21-4-1-2-5-23(21)31/h1-2,4-5,7-14,22,24,28,30-31H,3,6,15-16H2,(H,29,33)/t22-,24-/m1/s1 | 別名: | BALANOL ANALOG 2 | 定義日: | 2003-12-01 | 最終更新日: | 2021-03-01 | 識別子(ID): | (3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}azepan-4-yl 4-[(2-hydroxyphenyl)carbonyl]benzoate |
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