![BGV BGV](https://data.pdbj.org/pdbjplus/data/cc/svg/BGV.svg) | BGV | 表記: | (3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate | 組成式: | C17 H20 O5 | SMILES: | O=C1C=CC2C(CC3OC(=O)C(=C)C3C(OC(=O)C)C12C)C | InChi: | InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12+,14-,15+,17+/m1/s1 | 別名: | bigelovin | 定義日: | 2010-10-07 | 最終更新日: | 2021-03-01 | 識別子(ID): | (3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate |
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![BHL BHL](https://data.pdbj.org/pdbjplus/data/cc/svg/BHL.svg) | BHL | 表記: | 6-BROMOHEXAN-1-OL | 組成式: | C6 H13 Br O | SMILES: | BrCCCCCCO | InChi: | InChI=1S/C6H13BrO/c7-5-3-1-2-4-6-8/h8H,1-6H2 | 別名: | 6-BROMOHEXANOL | 定義日: | 2004-11-01 | 最終更新日: | 2021-03-01 | 識別子(ID): | 6-bromohexan-1-ol |
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![BHT BHT](https://data.pdbj.org/pdbjplus/data/cc/svg/BHT.svg) | BHT | 表記: | N-[4-(BIS{4-[(3-SULFOPHENYL)AMINO]PHENYL}METHYLENE)CYCLOHEXA-2,5-DIEN-1-YLIDENE]-4-SULFOBENZENAMINIUM | 組成式: | C37 H30 N3 O9 S3 | SMILES: | O=S(=O)(O)c1cccc(c1)Nc2ccc(cc2)C(=C4/C=C/C(=[NH+]c3ccc(cc3)S(=O)(=O)O)C=C4)c6ccc(Nc5cccc(c5)S(=O)(=O)O)cc6 | InChi: | InChI=1S/C37H29N3O9S3/c41-50(42,43)34-21-19-31(20-22-34)38-28-13-7-25(8-14-28)37(26-9-15-29(16-10-26)39-32-3-1-5-35(23-32)51(44,45)46)27-11-17-30(18-12-27)40-33-4-2-6-36(24-33)52(47,48)49/h1-24,39-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)/p+1 | 別名: | BLUE HT | 定義日: | 2005-06-03 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-[4-(bis{4-[(3-sulfophenyl)amino]phenyl}methylidene)cyclohexa-2,5-dien-1-ylidene]-4-sulfoanilinium |
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![BHU BHU](https://data.pdbj.org/pdbjplus/data/cc/svg/BHU.svg) | BHU | 表記: | [[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid | 組成式: | C5 H12 B N O3 S | SMILES: | C[CH](CS)C(=O)NCB(O)O | InChi: | InChI=1S/C5H12BNO3S/c1-4(2-11)5(8)7-3-6(9)10/h4,9-11H,2-3H2,1H3,(H,7,8)/t4-/m1/s1 | 別名: | (S)-((3-mercapto-2-methylpropanamido)methyl)boronic acid | 定義日: | 2019-02-01 | 最終更新日: | 2021-03-01 | 公開日: | 2019-07-17 | 識別子(ID): | [[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid |
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![SU1 SU1](https://data.pdbj.org/pdbjplus/data/cc/svg/SU1.svg) | SU1 | 表記: | 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE | 組成式: | C17 H16 N2 O3 | SMILES: | O=C(O)CCc1c(cnc1/C=C3/c2ccccc2NC3=O)C | InChi: | InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8- | 別名: | SU5402 | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | 3-{4-methyl-2-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid |
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![SU9 SU9](https://data.pdbj.org/pdbjplus/data/cc/svg/SU9.svg) | SU9 | 表記: | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE | 組成式: | C13 H11 N3 O2 | SMILES: | O=C/1Nc3ccc(OC)cc3C1=C/c2cncn2 | InChi: | InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4- | 別名: | SU9516 | 定義日: | 2003-05-27 | 最終更新日: | 2021-03-01 | 識別子(ID): | (3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1,3-dihydro-2H-indol-2-one |
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![BIA BIA](https://data.pdbj.org/pdbjplus/data/cc/svg/BIA.svg) | BIA | 表記: | 1-(3,4,DIHYDROXY-5-NITROPHENYL)-3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-1-YL}PROPAN-1-ONE | 組成式: | C20 H20 F3 N3 O5 | SMILES: | [O-][N+](=O)c3c(O)c(O)cc(C(=O)CCN2CCN(c1cc(ccc1)C(F)(F)F)CC2)c3 | InChi: | InChI=1S/C20H20F3N3O5/c21-20(22,23)14-2-1-3-15(12-14)25-8-6-24(7-9-25)5-4-17(27)13-10-16(26(30)31)19(29)18(28)11-13/h1-3,10-12,28-29H,4-9H2 | 別名: | BIA 3-335 | 定義日: | 2002-07-12 | 最終更新日: | 2021-03-01 | 識別子(ID): | 1-(3,4-dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one |
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![BIE BIE](https://data.pdbj.org/pdbjplus/data/cc/svg/BIE.svg) | BIE | 表記: | (3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE | 組成式: | C13 H9 N O5 | SMILES: | [O-][N+](=O)c2c(C(=O)c1ccccc1)ccc(O)c2O | InChi: | InChI=1S/C13H9NO5/c15-10-7-6-9(11(13(10)17)14(18)19)12(16)8-4-2-1-3-5-8/h1-7,15,17H | 別名: | BIA 3-335 | 定義日: | 2006-04-26 | 最終更新日: | 2021-03-01 | 識別子(ID): | (3,4-dihydroxy-2-nitrophenyl)(phenyl)methanone |
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![BIG BIG](https://data.pdbj.org/pdbjplus/data/cc/svg/BIG.svg) | BIG | 表記: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol | 組成式: | C16 H25 N5 O S | SMILES: | S(CCCC)CC3CN(Cc2cnc1c2ncnc1N)CC3O | InChi: | InChI=1S/C16H25N5OS/c1-2-3-4-23-9-12-7-21(8-13(12)22)6-11-5-18-15-14(11)19-10-20-16(15)17/h5,10,12-13,18,22H,2-4,6-9H2,1H3,(H2,17,19,20)/t12-,13+/m1/s1 | 別名: | butylthio-DADMe-Immucillin A | 定義日: | 2008-07-10 | 最終更新日: | 2021-03-01 | 識別子(ID): | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol |
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![BIV BIV](https://data.pdbj.org/pdbjplus/data/cc/svg/BIV.svg) | BIV | 表記: | 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E) | 組成式: | C32 H54 O4 | SMILES: | OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(CCCC(O)(C)C)CCCC(O)(C)C)CCC12)CC(O)C3 | InChi: | InChI=1S/C32H54O4/c1-22-25(20-26(33)21-29(22)34)14-13-24-12-9-19-32(6)27(15-16-28(24)32)23(10-7-17-30(2,3)35)11-8-18-31(4,5)36/h13-14,23,26-29,33-36H,1,7-12,15-21H2,2-6H3/b24-13+,25-14-/t26-,27-,28+,29+,32-/m1/s1 | 別名: | GEMINI | 定義日: | 2006-06-20 | 最終更新日: | 2021-03-01 | 識別子(ID): | (1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-methylhexyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol (non-preferred name) |
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![BK4 BK4](https://data.pdbj.org/pdbjplus/data/cc/svg/BK4.svg) | BK4 | 表記: | 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | 組成式: | C19 H19 N5 O | SMILES: | n1c(c2c(nc1)n(nc2c4cc3ccc(OC)cc3cc4)C(C)C)N | InChi: | InChI=1S/C19H19N5O/c1-11(2)24-19-16(18(20)21-10-22-19)17(23-24)14-5-4-13-9-15(25-3)7-6-12(13)8-14/h4-11H,1-3H3,(H2,20,21,22) | 別名: | RM-1-87 | 定義日: | 2011-07-27 | 最終更新日: | 2021-03-01 | 識別子(ID): | 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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![BKC BKC](https://data.pdbj.org/pdbjplus/data/cc/svg/BKC.svg) | BKC | 表記: | Bongkrekic acid | 組成式: | C28 H38 O7 | SMILES: | CO[CH](CC=CC=CCCC=CC[CH](C)C=CC(CC(O)=O)=CC(O)=O)C(C)=CC=C(C)C(O)=O | InChi: | InChI=1S/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/b8-6+,11-9+,12-10-,18-15+,22-16-,23-17+,24-19+/t21-,25+/m0/s1 | 別名: | Bongkrek acid | 定義日: | 2018-04-17 | 最終更新日: | 2021-03-01 | 公開日: | 2019-01-09 | 識別子(ID): | (2~{E},4~{Z},6~{R},8~{Z},10~{E},14~{E},17~{S},18~{E},20~{Z})-20-(2-hydroxy-2-oxoethyl)-6-methoxy-2,5,17-trimethyl-docosa-2,4,8,10,14,18,20-heptaenedioic acid |
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![SWH SWH](https://data.pdbj.org/pdbjplus/data/cc/svg/SWH.svg) | SWH | 表記: | {4-[(4-{(Z)-[3-(4-FLUOROBENZYL)-2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}PHENOXY)METHYL]PHENYL}(TRIHYDROXY)BORATE(1-) | 組成式: | C24 H20 B F N O6 S | SMILES: | O=C1S/C(C(=O)N1Cc2ccc(F)cc2)=Cc4ccc(OCc3ccc(cc3)[B-](O)(O)O)cc4 | InChi: | InChI=1S/C24H20BFNO6S/c26-20-9-3-17(4-10-20)14-27-23(28)22(34-24(27)29)13-16-5-11-21(12-6-16)33-15-18-1-7-19(8-2-18)25(30,31)32/h1-13,30-32H,14-15H2/q-1/b22-13- | 別名: | HA155 INHIBITOR | 定義日: | 2010-09-14 | 最終更新日: | 2021-03-01 | 識別子(ID): | {4-[(4-{(Z)-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]phenyl}(trihydroxy)borate(1-) |
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![BKM BKM](https://data.pdbj.org/pdbjplus/data/cc/svg/BKM.svg) | BKM | 表記: | (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid | 組成式: | C33 H52 O11 | SMILES: | C=[C@H]C(=[C@H]C(CC(CC(C)CCC(C(C)C(CC(O)C(C)C(C)OC(=O)CC(/C(C(O)=O)=C(/C(=O)O)C)O)=O)O)C)=O)CC | InChi: | InChI=1S/C33H52O11/c1-9-24(10-2)15-25(34)14-19(4)13-18(3)11-12-26(35)21(6)28(37)16-27(36)20(5)23(8)44-30(39)17-29(38)31(33(42)43)22(7)32(40)41/h9,15,18-21,23,26-27,29,35-36,38H,1,10-14,16-17H2,2-8H3,(H,40,41)(H,42,43)/b24-15-,31-22-/t18-,19+,20+,21-,23+,26-,27+,29+/m0/s1 | 別名: | Tautomycetin diacid form | 定義日: | 2017-08-10 | 最終更新日: | 2021-03-01 | 公開日: | 2017-11-29 | 識別子(ID): | (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid |
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![BLG BLG](https://data.pdbj.org/pdbjplus/data/cc/svg/BLG.svg) | BLG | 表記: | 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE | 組成式: | C16 H30 N3 O14 S2 | SMILES: | O=S(=O)(O)CCNC(=O)C2CC(OC1OC(C(OS(=O)(=O)O)C(O)C1NC(=O)C)CO)C(CO)[NH2+]2 | InChi: | InChI=1S/C16H29N3O14S2/c1-7(22)18-12-13(23)14(33-35(28,29)30)11(6-21)32-16(12)31-10-4-8(19-9(10)5-20)15(24)17-2-3-34(25,26)27/h8-14,16,19-21,23H,2-6H2,1H3,(H,17,24)(H,18,22)(H,25,26,27)(H,28,29,30)/p+1/t8-,9+,10-,11+,12+,13+,14+,16+/m0/s1 | 別名: | BULGECIN A | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2R,3S,5S)-2-(hydroxymethyl)-5-[(2-sulfoethyl)carbamoyl]pyrrolidinium-3-yl 2-(acetylamino)-2-deoxy-4-O-sulfo-beta-D-glucopyranoside |
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![SY2 SY2](https://data.pdbj.org/pdbjplus/data/cc/svg/SY2.svg) | SY2 | 表記: | N-{[(1S)-2-methyl-1-{[(5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine | 組成式: | C24 H41 N5 O6 | SMILES: | O=C(O)C(NC(=O)NC(C(=O)NC1C(=O)NC(C=CC(=O)NCCCC1)C(C)C)C(C)C)C(C)C | InChi: | InChI=1S/C24H41N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h10-11,13-17,19-20H,7-9,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/t16-,17+,19+,20+/m1/s1 | 別名: | Syringolin B | 定義日: | 2009-03-30 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-{[(1S)-2-methyl-1-{[(3E,5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine |
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![ATZ ATZ](https://data.pdbj.org/pdbjplus/data/cc/svg/ATZ.svg) | ATZ | 表記: | 2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO -1,3,5-TRIAZINE | 組成式: | C8 H14 Cl N5 | SMILES: | Clc1nc(nc(n1)NC(C)C)NCC | InChi: | InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14) | 別名: | ATRAZINE | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | 6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine |
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![SYN SYN](https://data.pdbj.org/pdbjplus/data/cc/svg/SYN.svg) | SYN | 表記: | ethenylbenzene | 組成式: | C8 H8 | SMILES: | C=Cc1ccccc1 | InChi: | InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2 | 別名: | styrene | 定義日: | 2012-10-15 | 最終更新日: | 2021-03-01 | 公開日: | 2013-05-01 | 識別子(ID): | ethenylbenzene |
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![AUI AUI](https://data.pdbj.org/pdbjplus/data/cc/svg/AUI.svg) | AUI | 表記: | 3-[(2E,6E,9R)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-methylquinolin-4(1H)-one | 組成式: | C25 H33 N O2 | SMILES: | O=C2c1c(cccc1)NC(=C2CC=C(/C)CCC=C(/C)CC(O)C=C(/C)C)C | InChi: | InChI=1S/C25H33NO2/c1-17(2)15-21(27)16-19(4)10-8-9-18(3)13-14-22-20(5)26-24-12-7-6-11-23(24)25(22)28/h6-7,10-13,15,21,27H,8-9,14,16H2,1-5H3,(H,26,28)/b18-13+,19-10+/t21-/m0/s1 | 別名: | Dehydroxy-aurachin RE | 定義日: | 2013-07-29 | 最終更新日: | 2021-03-01 | 公開日: | 2014-01-01 | 識別子(ID): | 3-[(2E,6E,9R)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-methylquinolin-4(1H)-one |
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![AV1 AV1](https://data.pdbj.org/pdbjplus/data/cc/svg/AV1.svg) | AV1 | 表記: | [(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | 組成式: | C15 H22 Br N5 O13 P2 | SMILES: | O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC4OC(n3c(Br)nc2c(ncnc23)N)C(O)C4O | InChi: | InChI=1S/C15H22BrN5O13P2/c16-15-20-8-12(17)18-4-19-13(8)21(15)14-11(25)10(24)7(33-14)3-32-36(28,29)34-35(26,27)31-2-6-9(23)5(22)1-30-6/h4-7,9-11,14,22-25H,1-3H2,(H,26,27)(H,28,29)(H2,17,18,19)/p-2/t5-,6+,7+,9-,10+,11+,14+/m0/s1 | 別名: | 8-BROMOADENOSINE-5'-O-DIPHOSPHORIBOSE | 定義日: | 2011-09-07 | 最終更新日: | 2021-03-01 | 識別子(ID): | [(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![AVY AVY](https://data.pdbj.org/pdbjplus/data/cc/svg/AVY.svg) | AVY | 表記: | (1R,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | 組成式: | C31 H48 N4 O10 S | SMILES: | C(CC1CCNC1=O)(C(S(O)(=O)=O)O)NC(C(CC(C)C)NC(=O)OC3(Cc2ccccc2)CCN(CC3)C(=O)OC(C)(C)C)=O | InChi: | InChI=1S/C31H48N4O10S/c1-20(2)17-23(26(37)33-24(27(38)46(41,42)43)18-22-11-14-32-25(22)36)34-28(39)44-31(19-21-9-7-6-8-10-21)12-15-35(16-13-31)29(40)45-30(3,4)5/h6-10,20,22-24,27,38H,11-19H2,1-5H3,(H,32,36)(H,33,37)(H,34,39)(H,41,42,43)/t22-,23-,24-,27+/m0/s1 | 別名: | bound form | 定義日: | 2017-07-28 | 最終更新日: | 2021-03-01 | 公開日: | 2018-04-04 | 識別子(ID): | (1R,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![AW4 AW4](https://data.pdbj.org/pdbjplus/data/cc/svg/AW4.svg) | AW4 | 表記: | (1S,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | 組成式: | C22 H32 Cl N3 O8 S | SMILES: | C1(=O)NCCC1CC(NC(C(NC(=O)OCCc2cccc(c2)Cl)CC(C)C)=O)C(O)S(O)(=O)=O | InChi: | InChI=1S/C22H32ClN3O8S/c1-13(2)10-17(26-22(30)34-9-7-14-4-3-5-16(23)11-14)20(28)25-18(21(29)35(31,32)33)12-15-6-8-24-19(15)27/h3-5,11,13,15,17-18,21,29H,6-10,12H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t15-,17-,18-,21-/m0/s1 | 別名: | bound form | 定義日: | 2017-07-28 | 最終更新日: | 2021-03-01 | 公開日: | 2018-04-04 | 識別子(ID): | (1S,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![AWH AWH](https://data.pdbj.org/pdbjplus/data/cc/svg/AWH.svg) | AWH | 表記: | 3-[(Z)-[(5Z)-5-[[2-(2-hydroxy-2-oxoethyloxy)phenyl]methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid | 組成式: | C20 H16 N2 O6 S | SMILES: | O=C(O)COc1ccccc1C=C3/S/C(=Nc2cccc(C(=O)O)c2)N(C3=O)C | InChi: | InChI=1S/C20H16N2O6S/c1-22-18(25)16(10-12-5-2-3-8-15(12)28-11-17(23)24)29-20(22)21-14-7-4-6-13(9-14)19(26)27/h2-10H,11H2,1H3,(H,23,24)(H,26,27)/b16-10-,21-20- | 別名: | 3-((Z)-((Z)-5-(2(carboxymethoxy)benzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid | 定義日: | 2012-12-05 | 最終更新日: | 2021-03-01 | 公開日: | 2013-08-07 | 識別子(ID): | 3-[(Z)-{(5Z)-5-[2-(carboxymethoxy)benzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino]benzoic acid |
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![AXI AXI](https://data.pdbj.org/pdbjplus/data/cc/svg/AXI.svg) | AXI | 表記: | AXITINIB | 組成式: | C22 H18 N4 O S | SMILES: | O=C(NC)c4ccccc4Sc2ccc3c(C=Cc1ncccc1)nnc3c2 | InChi: | InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+ | 別名: | N-METHYL-2-(3-((E)-2-PYRIDIN-2-YL-VINYL)-1H-INDAZOL-6-YLSULFANYL)-BENZAMIDE | 定義日: | 2012-01-24 | 最終更新日: | 2021-03-01 | 公開日: | 2012-09-21 | 識別子(ID): | N-methyl-2-({3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-6-yl}sulfanyl)benzamide |
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![AXM AXM](https://data.pdbj.org/pdbjplus/data/cc/svg/AXM.svg) | AXM | 表記: | N-hydroxy-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide | 組成式: | C12 H19 N O2 | SMILES: | O=C(NO)CC13CC2CC(CC(C1)C2)C3 | InChi: | InChI=1S/C12H19NO2/c14-11(13-15)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,15H,1-7H2,(H,13,14)/t8-,9+,10-,12- | 別名: | Adamantane acetic acid hydroxamate | 定義日: | 2012-10-05 | 最終更新日: | 2021-03-01 | 公開日: | 2013-01-18 | 識別子(ID): | N-hydroxy-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide |
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