![BC3 BC3](https://data.pdbj.org/pdbjplus/data/cc/svg/BC3.svg) | BC3 | 表記: | 2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | 組成式: | C12 H11 N5 O | SMILES: | O=C1c2c(N=C(N1)N)c(cn2)Cc3cccnc3 | InChi: | InChI=1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18) | 別名: | peldesine,BCX-34 | 定義日: | 2008-06-25 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
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![BC4 BC4](https://data.pdbj.org/pdbjplus/data/cc/svg/BC4.svg) | BC4 | 表記: | (3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one | 組成式: | C11 H16 N2 O S | SMILES: | O=C1NC2C(SCC2N1)CCCCC#C | InChi: | InChI=1S/C11H16N2OS/c1-2-3-4-5-6-9-10-8(7-15-9)12-11(14)13-10/h1,8-10H,3-7H2,(H2,12,13,14)/t8-,9-,10-/m0/s1 | 別名: | biotin acetylene | 定義日: | 2013-10-17 | 最終更新日: | 2020-06-17 | 公開日: | 2013-10-30 | 識別子(ID): | (3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one |
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![BCG BCG](https://data.pdbj.org/pdbjplus/data/cc/svg/BCG.svg) | BCG | 表記: | 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID | 組成式: | C16 H19 N O4 | SMILES: | O=C(O)C3C1N(C)C(CC1)CC3OC(=O)c2ccccc2 | InChi: | InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1 | 別名: | BENZOYLECGONINE | 定義日: | 2003-09-15 | 最終更新日: | 2020-06-17 | 識別子(ID): | (1R,2R,3S,5S)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylic acid |
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![BDT BDT](https://data.pdbj.org/pdbjplus/data/cc/svg/BDT.svg) | BDT | 表記: | 5-beta-DIHYDROTESTOSTERONE | 組成式: | C19 H30 O2 | SMILES: | O=C2CC1CCC3C(C1(C)CC2)CCC4(C3CCC4O)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/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1 | 別名: | (5beta,8alpha,17beta)-17-hydroxyandrostan-3-one | 定義日: | 2008-07-15 | 最終更新日: | 2020-06-17 | 識別子(ID): | (5beta,8alpha,17beta)-17-hydroxyandrostan-3-one |
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![BE3 BE3](https://data.pdbj.org/pdbjplus/data/cc/svg/BE3.svg) | BE3 | 表記: | N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | 組成式: | C38 H38 F2 N2 O8 | SMILES: | Fc1cccc(c1)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4cccc(F)c4)C(=O)NC6c5ccccc5CC6O | InChi: | InChI=1S/C38H38F2N2O8/c39-25-11-5-7-21(15-25)19-49-35(37(47)41-31-27-13-3-1-9-23(27)17-29(31)43)33(45)34(46)36(50-20-22-8-6-12-26(40)16-22)38(48)42-32-28-14-4-2-10-24(28)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1 | 別名: | INHIBITOR BEA403 | 定義日: | 2004-08-10 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2R,3R,4R,5R)-2,5-bis[(3-fluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
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![BE4 BE4](https://data.pdbj.org/pdbjplus/data/cc/svg/BE4.svg) | BE4 | 表記: | (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN
EDIAMIDE | 組成式: | C38 H36 F4 N2 O8 | SMILES: | Fc1ccc(c(F)c1)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4ccc(F)cc4F)C(=O)NC6c5ccccc5CC6O | InChi: | InChI=1S/C38H36F4N2O8/c39-23-11-9-21(27(41)15-23)17-51-35(37(49)43-31-25-7-3-1-5-19(25)13-29(31)45)33(47)34(48)36(52-18-22-10-12-24(40)16-28(22)42)38(50)44-32-26-8-4-2-6-20(26)14-30(32)46/h1-12,15-16,29-36,45-48H,13-14,17-18H2,(H,43,49)(H,44,50)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1 | 別名: | INHIBITOR BEA403 | 定義日: | 2004-08-10 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2R,3R,4R,5R)-2,5-bis[(2,4-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
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![BE5 BE5](https://data.pdbj.org/pdbjplus/data/cc/svg/BE5.svg) | BE5 | 表記: | (2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN
EDIAMIDE | 組成式: | C38 H36 F4 N2 O8 | SMILES: | Fc1cccc(c1F)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4cccc(F)c4F)C(=O)NC6c5ccccc5CC6O | InChi: | InChI=1S/C38H36F4N2O8/c39-25-13-5-9-21(29(25)41)17-51-35(37(49)43-31-23-11-3-1-7-19(23)15-27(31)45)33(47)34(48)36(52-18-22-10-6-14-26(40)30(22)42)38(50)44-32-24-12-4-2-8-20(24)16-28(32)46/h1-14,27-28,31-36,45-48H,15-18H2,(H,43,49)(H,44,50)/t27-,28-,31+,32+,33-,34-,35-,36-/m1/s1 | 別名: | HIV-1 INHIBITOR | 定義日: | 2004-08-10 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2R,3R,4R,5R)-2,5-bis[(2,3-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
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![BEB BEB](https://data.pdbj.org/pdbjplus/data/cc/svg/BEB.svg) | BEB | 表記: | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | 組成式: | C38 H40 N2 O8 | SMILES: | O=C(NC2c1ccccc1CC2O)C(OCc3ccccc3)C(O)C(O)C(OCc4ccccc4)C(=O)NC6c5ccccc5CC6O | InChi: | InChI=1S/C38H40N2O8/c41-29-19-25-15-7-9-17-27(25)31(29)39-37(45)35(47-21-23-11-3-1-4-12-23)33(43)34(44)36(48-22-24-13-5-2-6-14-24)38(46)40-32-28-18-10-8-16-26(28)20-30(32)42/h1-18,29-36,41-44H,19-22H2,(H,39,45)(H,40,46)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1 | 別名: | INHIBITOR BEA369 | 定義日: | 2000-01-31 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
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![BED BED](https://data.pdbj.org/pdbjplus/data/cc/svg/BED.svg) | BED | 表記: | N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | 組成式: | C38 H38 F2 N2 O8 | SMILES: | Fc1ccccc1COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4ccccc4F)C(=O)NC6c5ccccc5CC6O | InChi: | InChI=1S/C38H38F2N2O8/c39-27-15-7-3-11-23(27)19-49-35(37(47)41-31-25-13-5-1-9-21(25)17-29(31)43)33(45)34(46)36(50-20-24-12-4-8-16-28(24)40)38(48)42-32-26-14-6-2-10-22(26)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1 | 別名: | INHIBITOR BEA403 | 定義日: | 2000-01-31 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2R,3R,4R,5R)-2,5-bis[(2-fluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
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![BEH BEH](https://data.pdbj.org/pdbjplus/data/cc/svg/BEH.svg) | BEH | 表記: | 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2-HYDROXY-INDAN-1-YL)-AMIDE | 組成式: | C36 H38 N2 O7 | SMILES: | O=C(NCc1ccccc1)C(OCc2ccccc2)C(O)C(O)C(OCc3ccccc3)C(=O)NC5c4ccccc4CC5O | InChi: | InChI=1S/C36H38N2O7/c39-29-20-27-18-10-11-19-28(27)30(29)38-36(43)34(45-23-26-16-8-3-9-17-26)32(41)31(40)33(44-22-25-14-6-2-7-15-25)35(42)37-21-24-12-4-1-5-13-24/h1-19,29-34,39-41H,20-23H2,(H,37,42)(H,38,43)/t29-,30+,31-,32-,33-,34-/m1/s1 | 別名: | INHIBITOR BEA435 | 定義日: | 1999-10-05 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2R,3R,4R,5R)-N-benzyl-2,5-bis(benzyloxy)-3,4-dihydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
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![BES BES](https://data.pdbj.org/pdbjplus/data/cc/svg/BES.svg) | BES | 表記: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID | 組成式: | C16 H24 N2 O4 | SMILES: | O=C(O)C(NC(=O)C(O)C(N)Cc1ccccc1)CC(C)C | InChi: | InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1 | 別名: | BESTATIN | 定義日: | 2000-12-27 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine |
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![BF0 BF0](https://data.pdbj.org/pdbjplus/data/cc/svg/BF0.svg) | BF0 | 表記: | methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate | 組成式: | C25 H32 N2 O6 | SMILES: | O=C(OC)CCC(=O)NC1CCC5(O)C4N(CCC52c3c(ccc(O)c3OC12)C4)CC6CC6 | InChi: | InChI=1S/C25H32N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-5,14,16,18,23,28,31H,2-3,6-13H2,1H3,(H,26,29)/t16-,18-,23+,24+,25-/m1/s1 | 別名: | beta-funaltrexamine, bound form | 定義日: | 2012-02-07 | 最終更新日: | 2020-06-17 | 識別子(ID): | methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate |
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![BFI BFI](https://data.pdbj.org/pdbjplus/data/cc/svg/BFI.svg) | BFI | 表記: | 2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE | 組成式: | C19 H11 Br F2 N2 O4 | SMILES: | Brc1ccc(c(F)c1)CN4C(=O)c2ccc(F)cc2C3(C(=O)NC(=O)C3)C4=O | InChi: | InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m1/s1 | 別名: | MINALRESTAT | 定義日: | 2003-07-07 | 最終更新日: | 2020-06-17 | 識別子(ID): | (4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'(2H)-tetrone |
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![BHE BHE](https://data.pdbj.org/pdbjplus/data/cc/svg/BHE.svg) | BHE | 表記: | octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside | 組成式: | C20 H38 O10 | SMILES: | O(CCCCCCCC)C2OC(C(O)C(O)C2OC1OC(C)C(O)C(O)C1O)CO | InChi: | InChI=1S/C20H38O10/c1-3-4-5-6-7-8-9-27-20-18(16(25)14(23)12(10-21)29-20)30-19-17(26)15(24)13(22)11(2)28-19/h11-26H,3-10H2,1-2H3/t11-,12+,13+,14-,15+,16-,17-,18+,19-,20+/m0/s1 | 別名: | H-antigen acceptor | 定義日: | 2008-01-04 | 最終更新日: | 2020-06-17 | 識別子(ID): | octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside |
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![BHF BHF](https://data.pdbj.org/pdbjplus/data/cc/svg/BHF.svg) | BHF | 表記: | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 組成式: | C19 H12 O2 | SMILES: | O=C1c4c(OC(=C1)c2ccccc2)c3ccccc3cc4 | InChi: | InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H | 別名: | 7,8-BENZOFLAVONE | 定義日: | 2006-06-30 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-phenyl-4H-benzo[h]chromen-4-one |
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![BHN BHN](https://data.pdbj.org/pdbjplus/data/cc/svg/BHN.svg) | BHN | 表記: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid | 組成式: | C20 H24 N2 O6 | SMILES: | O=C(O)CN(Cc1ccccc1O)CCN(Cc2ccccc2O)CC(=O)O | InChi: | InChI=1S/C20H24N2O6/c23-17-7-3-1-5-15(17)11-21(13-19(25)26)9-10-22(14-20(27)28)12-16-6-2-4-8-18(16)24/h1-8,23-24H,9-14H2,(H,25,26)(H,27,28) | 別名: | N,N'-bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid | 定義日: | 2010-05-26 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2,2'-{ethane-1,2-diylbis[(2-hydroxybenzyl)imino]}diacetic acid (non-preferred name) |
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![BI3 BI3](https://data.pdbj.org/pdbjplus/data/cc/svg/BI3.svg) | BI3 | 表記: | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | 組成式: | C23 H20 N4 O2 | SMILES: | O=C5C(c2c1ccccc1nc2)=C(c4c3ccccc3n(c4)CCCN)C(=O)N5 | InChi: | InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29) | 別名: | INHIBITOR OF 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1 | 定義日: | 2003-12-16 | 最終更新日: | 2020-06-17 | 識別子(ID): | 3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione |
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![BIH BIH](https://data.pdbj.org/pdbjplus/data/cc/svg/BIH.svg) | BIH | 表記: | NAPHTHALENE-2,6-DISULFONIC ACID | 組成式: | C10 H8 O6 S2 | SMILES: | O=S(=O)(O)c1ccc2c(c1)ccc(c2)S(=O)(=O)O | InChi: | InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16) | 別名: | 2,6-NAPHTHALENEDISULFONIC ACID | 定義日: | 2004-08-11 | 最終更新日: | 2020-06-17 | 識別子(ID): | naphthalene-2,6-disulfonic acid |
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![BIK BIK](https://data.pdbj.org/pdbjplus/data/cc/svg/BIK.svg) | BIK | 表記: | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | 組成式: | C11 H8 O4 | SMILES: | O=C(O)c2cc1c(ccc(O)c1)cc2O | InChi: | InChI=1S/C11H8O4/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,12-13H,(H,14,15) | 別名: | 3,7-DIHYDROXYNAPHTHALENE-2-CARBOXYLIC ACID | 定義日: | 2004-08-11 | 最終更新日: | 2020-06-17 | 識別子(ID): | 3,7-dihydroxynaphthalene-2-carboxylic acid |
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![BJE BJE](https://data.pdbj.org/pdbjplus/data/cc/svg/BJE.svg) | BJE | 表記: | 2,2'-Anhydro-(1-beta-D-ribofuranosyl)uracil | 組成式: | C9 H10 N2 O5 | SMILES: | OC[CH]1O[CH]2[CH](OC3=NC(=O)C=CN23)[CH]1O | InChi: | InChI=1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7-,8-/m1/s1 | 別名: | Anhydrouridine | 定義日: | 2017-10-06 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2~{R},4~{R},5~{R},6~{R})-4-(hydroxymethyl)-5-oxidanyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.0^{2,6}]dodeca-8,11-dien-10-one |
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![BJM BJM](https://data.pdbj.org/pdbjplus/data/cc/svg/BJM.svg) | BJM | 表記: | (2~{S})-2-azanyl-1-[(1~{S},3~{S},5~{S})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{R},7~{S})-3-oxidanyl-1-ad
amantyl]ethanone | 組成式: | C18 H27 N3 O2 | SMILES: | N[CH](C(=O)N1[CH](C[CH]2C[CH]12)C=N)C34C[CH]5C[CH](CC(O)(C5)C3)C4 | InChi: | InChI=1S/C18H27N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h8,10-15,19,23H,1-7,9,20H2/t10-,11+,12-,13+,14+,15-,17+,18-/m1/s1 | 別名: | Saxagliptin, bound form | 定義日: | 2007-12-13 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2~{S})-2-azanyl-1-[(1~{S},3~{S},5~{S})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{R},7~{S})-3-oxidanyl-1-adamantyl]ethanone |
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![BJX BJX](https://data.pdbj.org/pdbjplus/data/cc/svg/BJX.svg) | BJX | 表記: | Repaglinide | 組成式: | C27 H36 N2 O4 | SMILES: | C(CC(c1ccccc1N2CCCCC2)NC(Cc3ccc(c(c3)OCC)C(=O)O)=O)(C)C | InChi: | InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1 | 別名: | 2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid | 定義日: | 2019-02-07 | 最終更新日: | 2020-06-17 | 公開日: | 2019-05-22 | 識別子(ID): | 2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid |
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![405 405](https://data.pdbj.org/pdbjplus/data/cc/svg/405.svg) | 405 | 表記: | (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | 組成式: | C16 H16 F3 N O | SMILES: | FC(F)(F)c2ccc(OC(c1ccccc1)CCN)cc2 | InChi: | InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1 | 別名: | (S)-Norfluoxetine | 定義日: | 2014-12-22 | 最終更新日: | 2020-06-17 | 公開日: | 2015-03-18 | 識別子(ID): | (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine |
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![40M 40M](https://data.pdbj.org/pdbjplus/data/cc/svg/40M.svg) | 40M | 表記: | N-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide | 組成式: | C26 H24 Cl2 N4 O3 | SMILES: | O=C(Nc1c(c(ccc1)C)Nc3ncc2cc(ccc2n3)c4c(c(cc(c4Cl)OC)OC)Cl)CC | InChi: | InChI=1S/C26H24Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h6-13H,5H2,1-4H3,(H,30,33)(H,29,31,32) | 別名: | BLU9931 bound form | 定義日: | 2015-01-05 | 最終更新日: | 2020-06-17 | 公開日: | 2015-04-01 | 識別子(ID): | N-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide |
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![418 418](https://data.pdbj.org/pdbjplus/data/cc/svg/418.svg) | 418 | 表記: | 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-3-{4-[(2-CARBOXY-PHENYL)-OXALYL-AMINO]-PHENYL}-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZ
OIC ACID METHYL ESTER | 組成式: | C34 H35 N3 O12 | SMILES: | O=C(O)c1ccccc1N(C(=O)C(=O)O)c2ccc(cc2)CC(NC(=O)OC/C=C)C(=O)NCCCCOc3cccc(O)c3C(=O)OC | InChi: | InChI=1S/C34H35N3O12/c1-3-18-49-34(46)36-24(29(39)35-17-6-7-19-48-27-12-8-11-26(38)28(27)33(45)47-2)20-21-13-15-22(16-14-21)37(30(40)32(43)44)25-10-5-4-9-23(25)31(41)42/h3-5,8-16,24,38H,1,6-7,17-20H2,2H3,(H,35,39)(H,36,46)(H,41,42)(H,43,44)/t24-/m0/s1 | 別名: | COMPOUND 6 | 定義日: | 2003-06-05 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-[(carboxycarbonyl){4-[(2S)-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxo-2-{[(prop-2-en-1-yloxy)carbonyl]amino}propyl]phenyl}amino]benzoic acid |
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