![1RC 1RC](https://data.pdbj.org/pdbjplus/data/cc/svg/1RC.svg) | 1RC | 表記: | (1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide | 組成式: | C18 H17 Cl N2 O4 | SMILES: | Clc1cc(c(O)cc1O)C(=O)N3C(c2ccccc2C3)C(=O)NCC | InChi: | InChI=1S/C18H17ClN2O4/c1-2-20-17(24)16-11-6-4-3-5-10(11)9-21(16)18(25)12-7-13(19)15(23)8-14(12)22/h3-8,16,22-23H,2,9H2,1H3,(H,20,24)/t16-/m1/s1 | 別名: | (1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide | 定義日: | 2009-10-22 | 最終更新日: | 2021-03-13 | 識別子(ID): | (1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide |
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![LGD LGD](https://data.pdbj.org/pdbjplus/data/cc/svg/LGD.svg) | LGD | 表記: | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE | 組成式: | C14 H9 F9 N2 O | SMILES: | FC(F)(F)CN(c2ccc1c(C(=CC(=O)N1)C(F)(F)F)c2)CC(F)(F)F | InChi: | InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26) | 別名: | 1,2-DIHYDRO-6-N,N-BIS(2,2,2-TRIFLUOROETHYL)AMINO-4-TRIFLUOROMETHYL-2-QUINOLINONE | 定義日: | 2006-08-01 | 最終更新日: | 2021-03-13 | 識別子(ID): | 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)quinolin-2(1H)-one |
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![21B 21B](https://data.pdbj.org/pdbjplus/data/cc/svg/21B.svg) | 21B | 表記: | Nortriptyline | 組成式: | C19 H21 N | SMILES: | c3cc2c(/C(c1c(cccc1)CC2)=C/CCNC)cc3 | InChi: | InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3 | 別名: | 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine | 定義日: | 2013-08-14 | 最終更新日: | 2021-03-13 | 公開日: | 2013-09-18 | 識別子(ID): | 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine |
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![3V5 3V5](https://data.pdbj.org/pdbjplus/data/cc/svg/3V5.svg) | 3V5 | 表記: | (3S,5S)-3-({[(aminomethyl)amino]methyl}sulfanyl)-5-[(2S)-1,3-dioxobutan-2-yl]-L-proline | 組成式: | C11 H19 N3 O4 S | SMILES: | O=C(C(C=O)C1NC(C(=O)O)C(SCNCN)C1)C | InChi: | InChI=1S/C11H19N3O4S/c1-6(16)7(3-15)8-2-9(19-5-13-4-12)10(14-8)11(17)18/h3,7-10,13-14H,2,4-5,12H2,1H3,(H,17,18)/t7-,8-,9-,10-/m0/s1 | 別名: | olivanic acid analog, open from | 定義日: | 2014-11-05 | 最終更新日: | 2021-03-13 | 公開日: | 2015-07-29 | 識別子(ID): | (3S,5S)-3-({[(aminomethyl)amino]methyl}sulfanyl)-5-[(2S)-1,3-dioxobutan-2-yl]-L-proline |
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![L1E L1E](https://data.pdbj.org/pdbjplus/data/cc/svg/L1E.svg) | L1E | 表記: | N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine | 組成式: | C26 H19 Cl N8 | SMILES: | Clc1ccc(cc1)Nc2nccc3c2ccc(c3Nc6ncccc6c4ncnc5ncnc45)C | InChi: | InChI=1S/C26H19ClN8/c1-15-4-9-19-18(10-12-29-24(19)34-17-7-5-16(27)6-8-17)21(15)35-25-20(3-2-11-28-25)22-23-26(32-13-30-22)33-14-31-23/h2-14H,1H3,(H,28,35)(H,29,34)(H,30,31,32,33) | 別名: | N5-(3-(9H-purin-6-yl)pyridin-2-yl)-N1-(4-chlorophenyl)-6-methylisoquinoline-1,5-diamine | 定義日: | 2009-08-03 | 最終更新日: | 2021-03-13 | 識別子(ID): | N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine |
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![L9P L9P](https://data.pdbj.org/pdbjplus/data/cc/svg/L9P.svg) | L9P | 表記: | Voxilaprevir | 組成式: | C40 H52 F4 N6 O9 S | SMILES: | C63C(C(C(NC1(C(C1)C(F)F)C(=O)NS(C2(CC2)C)(=O)=O)=O)N(C3)C(=O)C(NC(OC7C(CCCCC(c5c(nc4c(ccc(c4)OC)n5)O6)(F)F)C7)=O)C(C)(C)C)CC | InChi: | InChI=1S/C40H52F4N6O9S/c1-7-22-27-19-50(28(22)32(51)48-39(18-23(39)31(41)42)35(53)49-60(55,56)38(5)14-15-38)34(52)30(37(2,3)4)47-36(54)59-26-16-20(26)10-8-9-13-40(43,44)29-33(58-27)46-25-17-21(57-6)11-12-24(25)45-29/h11-12,17,20,22-23,26-28,30-31H,7-10,13-16,18-19H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t20-,22-,23+,26-,27+,28+,30-,39-/m1/s1 | 別名: | (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-18,18-difluoro-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide | 定義日: | 2019-02-15 | 最終更新日: | 2021-03-13 | 公開日: | 2019-07-10 | 識別子(ID): | (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-18,18-difluoro-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide |
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![LA1 LA1](https://data.pdbj.org/pdbjplus/data/cc/svg/LA1.svg) | LA1 | 表記: | (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE | 組成式: | C33 H36 N4 O3 | SMILES: | O=C(NC)C(N1C(=O)C(N(C(=O)CC1)Cc2cc3ccccc3nc2)CC(C)C)Cc5cc4ccccc4cc5 | InChi: | InChI=1S/C33H36N4O3/c1-22(2)16-30-33(40)36(29(32(39)34-3)19-23-12-13-25-8-4-5-9-26(25)17-23)15-14-31(38)37(30)21-24-18-27-10-6-7-11-28(27)35-20-24/h4-13,17-18,20,22,29-30H,14-16,19,21H2,1-3H3,(H,34,39)/t29-,30-/m0/s1 | 別名: | (S)-2-((S)-3-ISOBUTYL-2,5-DIOXO-4-QUINOLIN-3-YLMETHYL-[1,4]DIAZEPAN-1YL)-N-METHYL-3-NAPHTALEN-2-YL-PROPIONAMIDE | 定義日: | 2004-11-01 | 最終更新日: | 2021-03-13 | 識別子(ID): | (2S)-N-methyl-2-[(3S)-3-(2-methylpropyl)-2,5-dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1-yl]-3-naphthalen-2-ylpropanamide |
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![LAR LAR](https://data.pdbj.org/pdbjplus/data/cc/svg/LAR.svg) | LAR | 表記: | LATRUNCULIN A | 組成式: | C22 H31 N O5 S | SMILES: | O=C3OC2CC(OC(O)(C1NC(=O)SC1)C2)CCC(C=CC=CCCC(=C3)C)C | InChi: | InChI=1S/C22H31NO5S/c1-15-7-5-3-4-6-8-16(2)11-20(24)27-18-12-17(10-9-15)28-22(26,13-18)19-14-29-21(25)23-19/h3-5,7,11,15,17-19,26H,6,8-10,12-14H2,1-2H3,(H,23,25)/b4-3+,7-5-,16-11-/t15-,17-,18-,19+,22-/m1/s1 | 別名: | 4-(17-HYDROXY-5,12-DIMETHYL-3-OXO-2,16-DIOXABICYCLO[13.3.1]NONADECA-4,8,10-TRIEN-17-YL)-2-THIAZOLIDINONE | 定義日: | 2000-04-13 | 最終更新日: | 2021-03-13 | 識別子(ID): | (4R)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one |
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![17K 17K](https://data.pdbj.org/pdbjplus/data/cc/svg/17K.svg) | 17K | 表記: | (3R)-N-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-D-valine | 組成式: | C22 H22 N2 O7 S | SMILES: | O=C(O)C(Nc2c(cc1ccccn12)C=O)C(S(=O)O)(C)COC(=O)Cc3ccccc3 | InChi: | InChI=1S/C22H22N2O7S/c1-22(32(29)30,14-31-18(26)11-15-7-3-2-4-8-15)19(21(27)28)23-20-16(13-25)12-17-9-5-6-10-24(17)20/h2-10,12-13,19,23H,11,14H2,1H3,(H,27,28)(H,29,30)/t19-,22-/m0/s1 | 別名: | penam sulfone SA1-204, open form | 定義日: | 2012-10-26 | 最終更新日: | 2021-03-13 | 公開日: | 2013-07-31 | 識別子(ID): | (3R)-N-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-D-valine |
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![MIT MIT](https://data.pdbj.org/pdbjplus/data/cc/svg/MIT.svg) | MIT | 表記: | amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium | 組成式: | C23 H37 N6 O5 S | SMILES: | O=C(N1C(C(=O)O)CC(C)CC1)C(NS(=O)(=O)c3cccc2c3NCC(C)C2)CCCNC(=[NH2+])N | InChi: | InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/p+1/t14-,15-,17+,18-/m1/s1 | 別名: | R-argatroban | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-13 | 識別子(ID): | amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium |
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![AV9 AV9](https://data.pdbj.org/pdbjplus/data/cc/svg/AV9.svg) | AV9 | 表記: | TIVOZANIB | 組成式: | C22 H19 Cl N4 O5 | SMILES: | O=C(N=C1/C=C(ON1)C)Nc4ccc(Oc2c3cc(OC)c(OC)cc3ncc2)cc4Cl | InChi: | InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28) | 別名: | 1-{2-chloro-4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-3-[(3E)-5-methylisoxazol-3(2H)-ylidene]urea | 定義日: | 2012-04-30 | 最終更新日: | 2021-03-13 | 公開日: | 2012-09-21 | 識別子(ID): | 1-{2-chloro-4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-3-[(3E)-5-methylisoxazol-3(2H)-ylidene]urea |
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![F21 F21](https://data.pdbj.org/pdbjplus/data/cc/svg/F21.svg) | F21 | 表記: | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | 組成式: | C14 H19 F N2 O2 S2 | SMILES: | O=S(=O)(N1CCSCC1)c2ccc3c(c2)CNC(CF)C3 | InChi: | InChI=1S/C14H19FN2O2S2/c15-9-13-7-11-1-2-14(8-12(11)10-16-13)21(18,19)17-3-5-20-6-4-17/h1-2,8,13,16H,3-7,9-10H2/t13-/m1/s1 | 別名: | 3-FLUOROMETHYL 7-THIOMORPHOLINOSULFONAMIDE 1,2,3,4-TETRAHYDROISOQUINOLINE | 定義日: | 2006-03-03 | 最終更新日: | 2021-03-13 | 識別子(ID): | (3R)-3-(fluoromethyl)-7-(thiomorpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline |
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![HXG HXG](https://data.pdbj.org/pdbjplus/data/cc/svg/HXG.svg) | HXG | 表記: | 1,2-dihexanoyl-sn-glycero-3-phosphocholine | 組成式: | C20 H41 N O8 P | SMILES: | O=C(OCC(OC(=O)CCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCC | InChi: | InChI=1S/C20H40NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18H,6-17H2,1-5H3/p+1/t18-/m1/s1 | 別名: | (4R,7R)-7-(hexanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphapentadecan-1-aminium 4-oxide | 定義日: | 2014-07-09 | 最終更新日: | 2021-03-13 | 公開日: | 2015-03-04 | 識別子(ID): | (4R,7R)-7-(hexanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphapentadecan-1-aminium 4-oxide |
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![4J6 4J6](https://data.pdbj.org/pdbjplus/data/cc/svg/4J6.svg) | 4J6 | 表記: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid | 組成式: | C15 H26 N4 O6 S2 | SMILES: | CC(O)C(C=O)C2NC(C(O)=O)=C(SC1CNC(CNS(N)(=O)=O)C1)C2C | InChi: | InChI=1S/C15H26N4O6S2/c1-7-12(11(6-20)8(2)21)19-13(15(22)23)14(7)26-10-3-9(17-5-10)4-18-27(16,24)25/h6-12,17-19,21H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1 | 別名: | Doripenem(open form, pyrroline tautomer form 1, SP2 connection to Thio) | 定義日: | 2015-11-18 | 最終更新日: | 2021-03-13 | 公開日: | 2015-11-25 | 識別子(ID): | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
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![NCE NCE](https://data.pdbj.org/pdbjplus/data/cc/svg/NCE.svg) | NCE | 表記: | 3,6-Bis[(3-morpholinopropionamido)] acridine | 組成式: | C27 H33 N5 O4 | SMILES: | O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCOCC4)CCN5CCOCC5 | InChi: | InChI=1S/C27H33N5O4/c33-26(5-7-31-9-13-35-14-10-31)28-22-3-1-20-17-21-2-4-23(19-25(21)30-24(20)18-22)29-27(34)6-8-32-11-15-36-16-12-32/h1-4,17-19H,5-16H2,(H,28,33)(H,29,34) | 別名: | N,N'-acridine-3,6-diylbis(3-morpholin-4-ylpropanamide) | 定義日: | 2008-09-26 | 最終更新日: | 2021-03-13 | 識別子(ID): | N,N'-acridine-3,6-diylbis(3-morpholin-4-ylpropanamide) |
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![EHF EHF](https://data.pdbj.org/pdbjplus/data/cc/svg/EHF.svg) | EHF | 表記: | (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid | 組成式: | C20 H18 N2 O5 | SMILES: | O=C(O)C(O)(C=4C=C3c2nc1ccccc1cc2CN3C(=O)C=4CO)CC | InChi: | InChI=1S/C20H18N2O5/c1-2-20(27,19(25)26)14-8-16-17-12(9-22(16)18(24)13(14)10-23)7-11-5-3-4-6-15(11)21-17/h3-8,23,27H,2,9-10H2,1H3,(H,25,26)/t20-/m0/s1 | 別名: | Camptothecin, open form | 定義日: | 2013-07-03 | 最終更新日: | 2021-03-13 | 公開日: | 2013-07-24 | 識別子(ID): | (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid |
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![ELV ELV](https://data.pdbj.org/pdbjplus/data/cc/svg/ELV.svg) | ELV | 表記: | 6-(3-chloro-2-fluorobenzyl)-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 組成式: | C23 H23 Cl F N O5 | SMILES: | COc1cc2N(C=C(C(O)=O)C(=O)c2cc1Cc3cccc(Cl)c3F)[CH](CO)C(C)C | InChi: | InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1 | 別名: | Elvitegravir | 定義日: | 2010-01-04 | 最終更新日: | 2021-03-13 | 識別子(ID): | 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(2S)-1-hydroxy-3-methyl-butan-2-yl]-7-methoxy-4-oxo-quinoline-3-carboxylic acid |
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![M07 M07](https://data.pdbj.org/pdbjplus/data/cc/svg/M07.svg) | M07 | 表記: | (5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)-3-(4-METHOXYPHENYL)-1,6-DIOXA-2-AZASPIRO[4.5]DEC-2-ENE-8,9,10-TRIOL | 組成式: | C15 H19 N O7 | SMILES: | N=2OC1(OC(C(O)C(O)C1O)CO)CC=2c3ccc(OC)cc3 | InChi: | InChI=1S/C15H19NO7/c1-21-9-4-2-8(3-5-9)10-6-15(23-16-10)14(20)13(19)12(18)11(7-17)22-15/h2-5,11-14,17-20H,6-7H2,1H3/t11-,12-,13+,14-,15-/m1/s1 | 別名: | (1R)-3'-(4-METHOXYPHENYL)-SPIRO[1,5-ANHYDRO-D-GLUCITOL-1,5'-ISOXAZOLINE] | 定義日: | 2007-08-24 | 最終更新日: | 2021-03-13 | 識別子(ID): | (5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methoxyphenyl)-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol |
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![M08 M08](https://data.pdbj.org/pdbjplus/data/cc/svg/M08.svg) | M08 | 表記: | (5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol | 組成式: | C14 H17 N O6 | SMILES: | N=2OC1(OC(C(O)C(O)C1O)CO)CC=2c3ccccc3 | InChi: | InChI=1S/C14H17NO6/c16-7-10-11(17)12(18)13(19)14(20-10)6-9(15-21-14)8-4-2-1-3-5-8/h1-5,10-13,16-19H,6-7H2/t10-,11-,12+,13-,14-/m1/s1 | 別名: | (1R)-3'-phenylspiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] | 定義日: | 2007-08-24 | 最終更新日: | 2021-03-13 | 識別子(ID): | (5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol |
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![M09 M09](https://data.pdbj.org/pdbjplus/data/cc/svg/M09.svg) | M09 | 表記: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol | 組成式: | C14 H18 N2 O8 | SMILES: | [O-][N+](=O)c1ccc(cc1)C3NOC2(OC(C(O)C(O)C2O)CO)C3 | InChi: | InChI=1S/C14H18N2O8/c17-6-10-11(18)12(19)13(20)14(23-10)5-9(15-24-14)7-1-3-8(4-2-7)16(21)22/h1-4,9-13,15,17-20H,5-6H2/t9-,10+,11+,12-,13+,14+/m0/s1 | 別名: | (1R)-3'-(4-nitrophenyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] | 定義日: | 2007-09-04 | 最終更新日: | 2021-03-13 | 識別子(ID): | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol |
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![5H8 5H8](https://data.pdbj.org/pdbjplus/data/cc/svg/5H8.svg) | 5H8 | 表記: | N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-3-methyl-L-valine | 組成式: | C21 H34 N3 O7 P | SMILES: | c1ccc(COC(=O)NCP(=O)(O)NC(C(NC(C(=O)O)C(C)(C)C)=O)CC(C)C)cc1 | InChi: | InChI=1S/C21H34N3O7P/c1-14(2)11-16(18(25)23-17(19(26)27)21(3,4)5)24-32(29,30)13-22-20(28)31-12-15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30)/t16-,17+/m0/s1 | 別名: | (6S,9S)-1-(benzyloxy)-9-(tert-butyl)-6-isobutyl-4-oxido-1,4,7-trioxo-2,5,8-triaza-4-phosphadecan-10-oate | 定義日: | 2015-09-25 | 最終更新日: | 2021-03-13 | 公開日: | 2015-10-28 | 識別子(ID): | N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-3-methyl-L-valine |
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![DQU DQU](https://data.pdbj.org/pdbjplus/data/cc/svg/DQU.svg) | DQU | 表記: | 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE | 組成式: | C8 H8 N4 O | SMILES: | n2c1c(cc(cc1)N)c(O)nc2N | InChi: | InChI=1S/C8H8N4O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-3H,9H2,(H3,10,11,12,13) | 別名: | 2,6-DIAMINOQUINAZOLIN-4(3H)-ONE | 定義日: | 2003-08-07 | 最終更新日: | 2021-03-13 | 識別子(ID): | 2,6-diaminoquinazolin-4-ol |
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![DRW DRW](https://data.pdbj.org/pdbjplus/data/cc/svg/DRW.svg) | DRW | 表記: | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid | 組成式: | C15 H26 N4 O6 S2 | SMILES: | CC(O)C(C=O)C2N=C(C(O)=O)C(SC1CNC(CNS(N)(=O)=O)C1)C2C | InChi: | InChI=1S/C15H26N4O6S2/c1-7-12(11(6-20)8(2)21)19-13(15(22)23)14(7)26-10-3-9(17-5-10)4-18-27(16,24)25/h6-12,14,17-18,21H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t7-,8-,9+,10+,11-,12-,14+/m1/s1 | 別名: | Doripenem(open form, pyrroline tautomer form 2, SP3 connection to Thio as S isomer) | 定義日: | 2009-08-24 | 最終更新日: | 2021-03-13 | 識別子(ID): | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid |
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![E0F E0F](https://data.pdbj.org/pdbjplus/data/cc/svg/E0F.svg) | E0F | 表記: | ~{N}-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-oxidanylidene-1~{H}-quinoline-3-carboxamide | 組成式: | C24 H27 N3 O2 | SMILES: | CN(Cc1ccccc1NC(=O)C2=Cc3ccccc3NC2=O)C4CCCCC4 | InChi: | InChI=1S/C24H27N3O2/c1-27(19-11-3-2-4-12-19)16-18-10-6-8-14-22(18)26-24(29)20-15-17-9-5-7-13-21(17)25-23(20)28/h5-10,13-15,19H,2-4,11-12,16H2,1H3,(H,25,28)(H,26,29) | 別名: | N-(2-{[cyclohexyl(methyl)amino]methyl}phenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide | 定義日: | 2019-09-27 | 最終更新日: | 2021-03-13 | 公開日: | 2020-05-06 | 識別子(ID): | ~{N}-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-oxidanylidene-1~{H}-quinoline-3-carboxamide |
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![E0L E0L](https://data.pdbj.org/pdbjplus/data/cc/svg/E0L.svg) | E0L | 表記: | 3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid | 組成式: | C18 H15 N3 O4 | SMILES: | CNc1cccc2C=C(C(=O)Nc3cccc(c3)C(O)=O)C(=O)Nc12 | InChi: | InChI=1S/C18H15N3O4/c1-19-14-7-3-4-10-9-13(17(23)21-15(10)14)16(22)20-12-6-2-5-11(8-12)18(24)25/h2-9,19H,1H3,(H,20,22)(H,21,23)(H,24,25) | 別名: | 3-{[8-(methylamino)-2-oxo-1,2-dihydroquinoline-3-carbonyl]amino}benzoic acid | 定義日: | 2019-09-27 | 最終更新日: | 2021-03-13 | 公開日: | 2020-05-06 | 識別子(ID): | 3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid |
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