![OLJ OLJ](https://data.pdbj.org/pdbjplus/data/cc/svg/OLJ.svg) | OLJ | 表記: | (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | 組成式: | C39 H50 N6 O9 S | SMILES: | C5(N1C(CC(C1)Oc3nc2c(ccc(c2)OC)nc3C)C(=O)NC8(C(NS(C4(CC4)C)(=O)=O)=O)C(C=CCCCCCC5NC(=O)OC6CC7C(C6)C7)C8)=O | InChi: | InChI=1S/C39H50N6O9S/c1-22-34(41-31-18-26(52-3)11-12-29(31)40-22)53-28-19-32-33(46)43-39(36(48)44-55(50,51)38(2)13-14-38)20-25(39)9-7-5-4-6-8-10-30(35(47)45(32)21-28)42-37(49)54-27-16-23-15-24(23)17-27/h7,9,11-12,18,23-25,27-28,30,32H,4-6,8,10,13-17,19-21H2,1-3H3,(H,42,49)(H,43,46)(H,44,48)/b9-7-/t23-,24+,25-,27+,28-,30+,32+,39-/m1/s1 | 別名: | P4-7 (NR03-77) | 定義日: | 2019-06-28 | 最終更新日: | 2021-03-01 | 公開日: | 2020-03-04 | 識別子(ID): | (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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![OLN OLN](https://data.pdbj.org/pdbjplus/data/cc/svg/OLN.svg) | OLN | 表記: | (S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACID | 組成式: | C8 H15 N3 O4 | SMILES: | O=C(O)C(NC(=O)C)CCCNC(=O)N | InChi: | InChI=1S/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)/t6-/m0/s1 | 別名: | N-ACETYL-L-CITRULLINE | 定義日: | 2005-01-10 | 最終更新日: | 2021-03-01 | 識別子(ID): | N~2~-acetyl-N~5~-carbamoyl-L-ornithine |
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![OLY OLY](https://data.pdbj.org/pdbjplus/data/cc/svg/OLY.svg) | OLY | 表記: | methyl (1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methyl-5,8-dihydroquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamoyl}cyclopentyl)carbamate | 組成式: | C40 H55 N7 O10 S | SMILES: | C1(C(CCCCCC=CC6C(NC(C2N1CC(C2)Oc3c(C)nc4c(n3)CC(OC)=CC4)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C6)NC(=O)C7(NC(=O)OC)CCCC7)=O | InChi: | InChI=1S/C40H55N7O10S/c1-24-33(42-30-20-26(55-3)14-15-28(30)41-24)57-27-21-31-32(48)44-40(36(51)46-58(53,54)38(2)18-19-38)22-25(40)12-8-6-5-7-9-13-29(34(49)47(31)23-27)43-35(50)39(16-10-11-17-39)45-37(52)56-4/h8,12,14,25,27,29,31H,5-7,9-11,13,15-23H2,1-4H3,(H,43,50)(H,44,48)(H,45,52)(H,46,51)/b12-8-/t25-,27-,29+,31+,40-/m1/s1 | 別名: | P4-P5-5 (WK-25) | 定義日: | 2019-06-28 | 最終更新日: | 2021-03-01 | 公開日: | 2020-03-04 | 識別子(ID): | methyl (1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methyl-5,8-dihydroquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamoyl}cyclopentyl)carbamate |
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![OMD OMD](https://data.pdbj.org/pdbjplus/data/cc/svg/OMD.svg) | OMD | 表記: | 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID | 組成式: | C8 H8 O4 | SMILES: | O=C(O)Cc1cc(O)ccc1O | InChi: | InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) | 別名: | HOMOGENTISIC ACID | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2,5-dihydroxyphenyl)acetic acid |
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![2P0 2P0](https://data.pdbj.org/pdbjplus/data/cc/svg/2P0.svg) | 2P0 | 表記: | 1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline | 組成式: | C7 H13 N O10 P2 | SMILES: | O=C(N1C(C(=O)O)CCC1)COP(=O)(O)OP(=O)(O)O | InChi: | InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/t5-/m0/s1 | 別名: | diphosphoglycolylproline | 定義日: | 2011-02-24 | 最終更新日: | 2021-03-01 | 識別子(ID): | 1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline |
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![OMS OMS](https://data.pdbj.org/pdbjplus/data/cc/svg/OMS.svg) | OMS | 表記: | 1-methylcyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | 組成式: | C38 H50 N6 O9 S | SMILES: | C1(C(CCCCCC=CC6C(NC(C2N1CC(C2)Oc4nc3c(ccc(c3)OC)nc4C)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C6)NC(=O)OC7(C)CCC7)=O | InChi: | InChI=1S/C38H50N6O9S/c1-23-32(40-29-19-25(51-4)13-14-27(29)39-23)52-26-20-30-31(45)42-38(34(47)43-54(49,50)37(3)17-18-37)21-24(38)11-8-6-5-7-9-12-28(33(46)44(30)22-26)41-35(48)53-36(2)15-10-16-36/h8,11,13-14,19,24,26,28,30H,5-7,9-10,12,15-18,20-22H2,1-4H3,(H,41,48)(H,42,45)(H,43,47)/b11-8-/t24-,26-,28+,30+,38-/m1/s1 | 別名: | P4-2 (NR02-61) | 定義日: | 2019-06-28 | 最終更新日: | 2021-03-01 | 公開日: | 2020-03-04 | 識別子(ID): | 1-methylcyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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![OMV OMV](https://data.pdbj.org/pdbjplus/data/cc/svg/OMV.svg) | OMV | 表記: | 1-ethylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | 組成式: | C40 H54 N6 O9 S | SMILES: | C4(N1C(CC(C1)Oc3nc2c(ccc(c2)OC)nc3C)C(=O)NC6(C(C=CCCCCCC4NC(=O)OC5(CC)CCCC5)C6)C(NS(C7(CC7)C)(=O)=O)=O)=O | InChi: | InChI=1S/C40H54N6O9S/c1-5-39(17-11-12-18-39)55-37(50)43-30-14-10-8-6-7-9-13-26-23-40(26,36(49)45-56(51,52)38(3)19-20-38)44-33(47)32-22-28(24-46(32)35(30)48)54-34-25(2)41-29-16-15-27(53-4)21-31(29)42-34/h9,13,15-16,21,26,28,30,32H,5-8,10-12,14,17-20,22-24H2,1-4H3,(H,43,50)(H,44,47)(H,45,49)/b13-9-/t26-,28-,30+,32+,40-/m1/s1 | 別名: | P4-5 (NR01-97) | 定義日: | 2019-06-28 | 最終更新日: | 2021-03-01 | 公開日: | 2020-03-04 | 識別子(ID): | 1-ethylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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![ON4 ON4](https://data.pdbj.org/pdbjplus/data/cc/svg/ON4.svg) | ON4 | 表記: | 1-methylcyclopropyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | 組成式: | C37 H48 N6 O9 S | SMILES: | C5(N1C(CC(C1)Oc3nc2cc(OC)ccc2nc3C)C(=O)NC7(C(NS(C4(CC4)C)(=O)=O)=O)C(C=CCCCCCC5NC(=O)OC6(C)CC6)C7)=O | InChi: | InChI=1S/C37H48N6O9S/c1-22-31(39-28-18-24(50-4)12-13-26(28)38-22)51-25-19-29-30(44)41-37(33(46)42-53(48,49)36(3)16-17-36)20-23(37)10-8-6-5-7-9-11-27(32(45)43(29)21-25)40-34(47)52-35(2)14-15-35/h8,10,12-13,18,23,25,27,29H,5-7,9,11,14-17,19-21H2,1-4H3,(H,40,47)(H,41,44)(H,42,46)/b10-8-/t23-,25-,27+,29+,37-/m1/s1 | 別名: | P4-1 (NR02-24) | 定義日: | 2019-06-28 | 最終更新日: | 2021-03-01 | 公開日: | 2020-03-04 | 識別子(ID): | 1-methylcyclopropyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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![2R4 2R4](https://data.pdbj.org/pdbjplus/data/cc/svg/2R4.svg) | 2R4 | 表記: | 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one | 組成式: | C25 H19 N O3 S | SMILES: | O=C5c6cccc(c2cccc1c3c(sc12)cccc3)c6OC(N4CCOCC4)=C5 | InChi: | InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2 | 別名: | NU7441 | 定義日: | 2014-01-10 | 最終更新日: | 2021-03-01 | 公開日: | 2014-03-05 | 識別子(ID): | 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one |
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![2R9 2R9](https://data.pdbj.org/pdbjplus/data/cc/svg/2R9.svg) | 2R9 | 表記: | N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide | 組成式: | C35 H46 Cl N5 O9 S | SMILES: | O=C(N5C(C(=O)NC2(C(=O)NS(=O)(=O)C1CC1)CC2/C=C)CC(Oc3ncc(OC)c4c3cc(Cl)cc4)C5)C(NC(=O)OC(C)(C)C)C(C)(C)C | InChi: | InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1 | 別名: | Asunaprevir | 定義日: | 2014-01-10 | 最終更新日: | 2021-03-01 | 公開日: | 2014-03-26 | 識別子(ID): | N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide |
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![OPC OPC](https://data.pdbj.org/pdbjplus/data/cc/svg/OPC.svg) | OPC | 表記: | (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE | 組成式: | C45 H87 N O8 P | SMILES: | O=C(OC(COP(=O)(OCC[N+](C)(C)C)O)(C)COC(=O)CCCCCCC=C/CCCCCCCCC)CCCCCC/C=C/CCCCCCCCC | InChi: | InChI=1S/C45H86NO8P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43(47)51-41-45(3,42-53-55(49,50)52-40-39-46(4,5)6)54-44(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h23-26H,7-22,27-42H2,1-6H3/p+1/b25-23-,26-24+/t45-/m1/s1 | 別名: | DIOLEOYL-PHOSPHATIDYLCHOLINE | 定義日: | 2003-10-02 | 最終更新日: | 2021-03-01 | 識別子(ID): | (4S,7R,17Z)-4-hydroxy-N,N,N,7-tetramethyl-7-[(8E)-octadec-8-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-17-en-1-aminium 4-oxide |
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![2TC 2TC](https://data.pdbj.org/pdbjplus/data/cc/svg/2TC.svg) | 2TC | 表記: | (4S,4AS,6S,8AS)-6-[(1S)-7-CHLORO-4-HYDROXY-1-METHYL-3-OXO-1,3-DIHYDRO-2-BENZOFURAN-1-YL]-4-(DIMETHYLAMINO)-3,8A-DIHYDROXY-1,8-DIOXO-1,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALENE-2-CARBONITRILE | 組成式: | C22 H21 Cl N2 O7 | SMILES: | O=C3CC(C2(OC(=O)c1c(O)ccc(Cl)c12)C)CC4C3(O)C(=O)C(C#N)=C(O)C4N(C)C | InChi: | InChI=1S/C22H21ClN2O7/c1-21(16-12(23)4-5-13(26)15(16)20(30)32-21)9-6-11-17(25(2)3)18(28)10(8-24)19(29)22(11,31)14(27)7-9/h4-5,9,11,17,26,28,31H,6-7H2,1-3H3/t9-,11-,17-,21-,22-/m0/s1 | 別名: | 7-CHLOR-2-CYANO-ISO-TETRACYCLINE | 定義日: | 2010-02-18 | 最終更新日: | 2021-03-01 | 識別子(ID): | (4S,4aS,6S,8aS)-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbonitrile |
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![2TS 2TS](https://data.pdbj.org/pdbjplus/data/cc/svg/2TS.svg) | 2TS | 表記: | (2S)-N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2R)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide | 組成式: | C26 H36 Cl N7 O4 S | SMILES: | O=C(NCc1cc(Cl)ccc1CN)C3N(C(=O)C(NS(=O)(=O)Cc2ccccc2)CCCNC(=[N@H])N)CCC3 | InChi: | InChI=1S/C26H36ClN7O4S/c27-21-11-10-19(15-28)20(14-21)16-32-24(35)23-9-5-13-34(23)25(36)22(8-4-12-31-26(29)30)33-39(37,38)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,14,22-23,33H,4-5,8-9,12-13,15-17,28H2,(H,32,35)(H4,29,30,31)/t22-,23+/m1/s1 | 別名: | (S)-1-((R)-5-Guanidino-2-phenylmethanesulfonylamino-pentanoyl)-pyrrolidine-2-carboxylic acid 2aminomethyl-5-chloro-benzylamide | 定義日: | 2008-10-01 | 最終更新日: | 2021-03-01 | 識別子(ID): | N~2~-(benzylsulfonyl)-D-arginyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide |
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![7JD 7JD](https://data.pdbj.org/pdbjplus/data/cc/svg/7JD.svg) | 7JD | 表記: | 6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one | 組成式: | C14 H9 F N2 O2 | SMILES: | Oc1cc(cc2C(=O)NC=Nc12)c3ccc(F)cc3 | InChi: | InChI=1S/C14H9FN2O2/c15-10-3-1-8(2-4-10)9-5-11-13(12(18)6-9)16-7-17-14(11)19/h1-7,18H,(H,16,17,19) | 別名: | 6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one | 定義日: | 2016-11-02 | 最終更新日: | 2021-03-01 | 公開日: | 2017-11-22 | 識別子(ID): | 6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
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![7JM 7JM](https://data.pdbj.org/pdbjplus/data/cc/svg/7JM.svg) | 7JM | 表記: | 6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{H}-quinazolin-4-one | 組成式: | C14 H11 N3 O2 | SMILES: | Cc1ncccc1c2cc(O)c3N=CNC(=O)c3c2 | InChi: | InChI=1S/C14H11N3O2/c1-8-10(3-2-4-15-8)9-5-11-13(12(18)6-9)16-7-17-14(11)19/h2-7,18H,1H3,(H,16,17,19) | 別名: | 8-hydroxy-6-(2-methylpyridin-3-yl)-3H-quinazolin-4-one | 定義日: | 2016-11-02 | 最終更新日: | 2021-03-01 | 公開日: | 2017-11-22 | 識別子(ID): | 6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{H}-quinazolin-4-one |
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![7JU 7JU](https://data.pdbj.org/pdbjplus/data/cc/svg/7JU.svg) | 7JU | 表記: | 7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one | 組成式: | C14 H8 F2 N2 O2 | SMILES: | Oc1c(F)c(cc2C(=O)NC=Nc12)c3ccc(F)cc3 | InChi: | InChI=1S/C14H8F2N2O2/c15-8-3-1-7(2-4-8)9-5-10-12(13(19)11(9)16)17-6-18-14(10)20/h1-6,19H,(H,17,18,20) | 別名: | 7-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one | 定義日: | 2016-11-02 | 最終更新日: | 2021-03-01 | 公開日: | 2017-11-22 | 識別子(ID): | 7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
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![7JV 7JV](https://data.pdbj.org/pdbjplus/data/cc/svg/7JV.svg) | 7JV | 表記: | 6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one | 組成式: | C16 H14 N2 O3 | SMILES: | COCc1ccccc1c2cc(O)c3NC=NC(=O)c3c2 | InChi: | InChI=1S/C16H14N2O3/c1-21-8-10-4-2-3-5-12(10)11-6-13-15(14(19)7-11)17-9-18-16(13)20/h2-7,9,19H,8H2,1H3,(H,17,18,20) | 別名: | 8-hydroxy-6-[2-(methoxymethyl)phenyl]-3H-quinazolin-4-one | 定義日: | 2016-11-02 | 最終更新日: | 2021-03-01 | 公開日: | 2017-11-22 | 識別子(ID): | 6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one |
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![P40 P40](https://data.pdbj.org/pdbjplus/data/cc/svg/P40.svg) | P40 | 表記: | N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | 組成式: | C25 H29 N5 O2 | SMILES: | O=C(NC1CC1)c2cc(c(cc2)C)c4ccc3nc(ncc3c4)NCCN5CCOCC5 | InChi: | InChI=1S/C25H29N5O2/c1-17-2-3-19(24(31)28-21-5-6-21)15-22(17)18-4-7-23-20(14-18)16-27-25(29-23)26-8-9-30-10-12-32-13-11-30/h2-4,7,14-16,21H,5-6,8-13H2,1H3,(H,28,31)(H,26,27,29) | 別名: | N-cyclopropyl-4-methyl-3-(2-((2-(4-morpholinyl)ethyl)amino)-6-quinazolinyl)benzamide | 定義日: | 2008-07-16 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide |
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![7LX 7LX](https://data.pdbj.org/pdbjplus/data/cc/svg/7LX.svg) | 7LX | 表記: | (2~{R})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid | 組成式: | C20 H20 N2 O4 | SMILES: | CCOc1ccc(cc1OC)[CH](Nc2ccc3cnccc3c2)C(O)=O | InChi: | InChI=1S/C20H20N2O4/c1-3-26-17-7-5-14(11-18(17)25-2)19(20(23)24)22-16-6-4-15-12-21-9-8-13(15)10-16/h4-12,19,22H,3H2,1-2H3,(H,23,24)/t19-/m1/s1 | 別名: | 2-(4-ethoxy-3-methoxyphenyl)-2-(isoquinolin-6-ylamino)acetic acid | 定義日: | 2016-12-13 | 最終更新日: | 2021-03-01 | 公開日: | 2017-06-21 | 識別子(ID): | (2~{R})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid |
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![ALE ALE](https://data.pdbj.org/pdbjplus/data/cc/svg/ALE.svg) | ALE | 表記: | L-EPINEPHRINE | 組成式: | C9 H13 N O3 | SMILES: | Oc1ccc(cc1O)C(O)CNC | InChi: | InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1 | 別名: | ADRENALINE | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | 4-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]benzene-1,2-diol |
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![039 039](https://data.pdbj.org/pdbjplus/data/cc/svg/039.svg) | 039 | 表記: | 2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE | 組成式: | C21 H15 Cl N6 O2 S | SMILES: | Clc2cccc3N=C(N(c1ccccc1OC)C(=O)c23)CSc5ncnc4c5ncn4 | InChi: | InChI=1S/C21H15ClN6O2S/c1-30-15-8-3-2-7-14(15)28-16(27-13-6-4-5-12(22)17(13)21(28)29)9-31-20-18-19(24-10-23-18)25-11-26-20/h2-8,10-11H,9H2,1H3,(H,23,24,25,26) | 別名: | PIK-39 | 定義日: | 2006-03-16 | 最終更新日: | 2021-03-01 | 識別子(ID): | 5-chloro-3-(2-methoxyphenyl)-2-[(9H-purin-6-ylsulfanyl)methyl]quinazolin-4(3H)-one |
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![04M 04M](https://data.pdbj.org/pdbjplus/data/cc/svg/04M.svg) | 04M | 表記: | 5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid | 組成式: | C26 H35 N O7 S | SMILES: | O=S(=O)(N1CCOCC1)c3cc(C(=O)O)c(OCc2cccc(OCCCCCCCC)c2)cc3 | InChi: | InChI=1S/C26H35NO7S/c1-2-3-4-5-6-7-15-33-22-10-8-9-21(18-22)20-34-25-12-11-23(19-24(25)26(28)29)35(30,31)27-13-16-32-17-14-27/h8-12,18-19H,2-7,13-17,20H2,1H3,(H,28,29) | 別名: | BPH-1158 | 定義日: | 2011-06-16 | 最終更新日: | 2021-03-01 | 公開日: | 2016-09-07 | 識別子(ID): | 5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid |
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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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![7S1 7S1](https://data.pdbj.org/pdbjplus/data/cc/svg/7S1.svg) | 7S1 | 表記: | N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine | 組成式: | C19 H17 N5 | SMILES: | C(NC#N)(NC(C)c1ccccc1)=Nc3c2cccnc2ccc3 | InChi: | InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m1/s1 | 別名: | antagonist A804598 | 定義日: | 2016-12-02 | 最終更新日: | 2021-03-01 | 公開日: | 2017-01-04 | 識別子(ID): | N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine |
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![7S4 7S4](https://data.pdbj.org/pdbjplus/data/cc/svg/7S4.svg) | 7S4 | 表記: | N-{(1R)-1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide | 組成式: | C26 H30 N6 O3 | SMILES: | c1(cc(c(OC)cc1)OC)CC(NC(C(C)(C)C)NC(=N/C#N)Nc2cccc3c2cccn3)=O | InChi: | InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)/t24-/m0/s1 | 別名: | antagonist A740003 | 定義日: | 2016-12-02 | 最終更新日: | 2021-03-01 | 公開日: | 2017-01-11 | 識別子(ID): | N-{(1R)-1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide |
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