![7RY 7RY](https://data.pdbj.org/pdbjplus/data/cc/svg/7RY.svg) | 7RY | 表記: | N-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide | 組成式: | C25 H34 N4 O2 | SMILES: | C(Nc5ccc1c(cccc1NC(CC43CC2CC(CC(C2)C3)C4)=O)n5)CNCCO | InChi: | InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31)/t17-,18+,19-,25- | 別名: | antagonist AZ10606120 | 定義日: | 2016-12-02 | 最終更新日: | 2020-06-17 | 公開日: | 2017-01-04 | 識別子(ID): | N-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide |
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![PC7 PC7](https://data.pdbj.org/pdbjplus/data/cc/svg/PC7.svg) | PC7 | 表記: | (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE | 組成式: | C42 H85 N O8 P | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/p+1/t40-/m0/s1 | 別名: | PHOSPHATIDYLCHOLINE | 定義日: | 2006-06-29 | 最終更新日: | 2020-06-17 | 識別子(ID): | (4R,7S)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide |
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![PCK PCK](https://data.pdbj.org/pdbjplus/data/cc/svg/PCK.svg) | PCK | 表記: | (7R,18S,19R)-18,19-DIBROMO-7-{[(9S,10S)-9,10-DIBROMOOCTADECANOYL]OXY}-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-P
HOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE | 組成式: | C44 H85 Br4 N O8 P | SMILES: | BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OCC(OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O | InChi: | InChI=1S/C44H84Br4NO8P/c1-6-8-10-12-16-22-28-39(45)41(47)30-24-18-14-20-26-32-43(50)54-36-38(37-56-58(52,53)55-35-34-49(3,4)5)57-44(51)33-27-21-15-19-25-31-42(48)40(46)29-23-17-13-11-9-7-2/h38-42H,6-37H2,1-5H3/p+1/t38-,39-,40+,41+,42+/m1/s1 | 別名: | TETRABROMINATED PHOSPHATIDYLCHOLINE | 定義日: | 2006-06-30 | 最終更新日: | 2020-06-17 | 識別子(ID): | (4R,7R,18S,19R)-18,19-dibromo-7-{[(9S,10S)-9,10-dibromooctadecanoyl]oxy}-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide |
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![PI7 PI7](https://data.pdbj.org/pdbjplus/data/cc/svg/PI7.svg) | PI7 | 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-YAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL) -PROPYL]-3-METHYL-2-PROPIONYLAMINO-BUTYRAMIDE | 組成式: | C36 H53 N5 O7 | SMILES: | O=C(NC(C(=O)NC(Cc1ccc(O)cc1)C(O)CNC3C(=O)NC(C(=O)NCCCOc2ccc(cc2)C3)C(C)CC)C(C)C)CC | InChi: | InChI=1S/C36H53N5O7/c1-6-23(5)33-35(46)37-17-8-18-48-27-15-11-25(12-16-27)20-29(34(45)41-33)38-21-30(43)28(19-24-9-13-26(42)14-10-24)39-36(47)32(22(3)4)40-31(44)7-2/h9-16,22-23,28-30,32-33,38,42-43H,6-8,17-21H2,1-5H3,(H,37,46)(H,39,47)(H,40,44)(H,41,45)/t23-,28-,29-,30+,32-,33-/m0/s1 | 別名: | MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 7 | 定義日: | 1999-07-08 | 最終更新日: | 2020-06-17 | 識別子(ID): | 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]-N~2~-propanoyl-L-valinamide |
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![PIB PIB](https://data.pdbj.org/pdbjplus/data/cc/svg/PIB.svg) | PIB | 表記: | 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL
BUTANOATE | 組成式: | C17 H32 O16 P2 | SMILES: | O=C(OCC(OC(=O)CCC)COP(=O)(OC1C(O)C(O)C(O)C(OP(=O)(O)O)C1O)O)CCC | InChi: | InChI=1S/C17H32O16P2/c1-3-5-10(18)29-7-9(31-11(19)6-4-2)8-30-35(27,28)33-17-14(22)12(20)13(21)16(15(17)23)32-34(24,25)26/h9,12-17,20-23H,3-8H2,1-2H3,(H,27,28)(H2,24,25,26)/t9-,12-,13-,14+,15+,16+,17-/m0/s1 | 別名: | D-MYO-PHOSPHATIDYLINOSITOL 3-PHOSPHATED (+)-SN-1,2-DI-O-BUTANOYLGLYCERYL,3-O-PHOSPHO | 定義日: | 2001-06-15 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2S)-3-{[(S)-hydroxy{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate |
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![BRE BRE](https://data.pdbj.org/pdbjplus/data/cc/svg/BRE.svg) | BRE | 表記: | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID | 組成式: | C23 H16 F N O2 | SMILES: | Fc1ccc2nc(c(c(c2c1)C(=O)O)C)c4ccc(c3ccccc3)cc4 | InChi: | InChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27) | 別名: | BREQUINAR ANALOG | 定義日: | 1999-10-01 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-biphenyl-4-yl-6-fluoro-3-methylquinoline-4-carboxylic acid |
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![BW2 BW2](https://data.pdbj.org/pdbjplus/data/cc/svg/BW2.svg) | BW2 | 表記: | N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID | 組成式: | C20 H19 N5 O8 S | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)S(=O)(=O)Nc3ccc2N=C(NC(=O)c2c3)N)CCC(=O)O | InChi: | InChI=1S/C20H19N5O8S/c21-20-23-14-6-3-11(9-13(14)18(29)24-20)25-34(32,33)12-4-1-10(2-5-12)17(28)22-15(19(30)31)7-8-16(26)27/h1-6,9,15,25H,7-8H2,(H,22,28)(H,26,27)(H,30,31)(H3,21,23,24,29) | 別名: | BW2315U89UC | 定義日: | 2003-06-12 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-({4-[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)sulfamoyl]phenyl}carbonyl)glutamic acid |
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![C09 C09](https://data.pdbj.org/pdbjplus/data/cc/svg/C09.svg) | C09 | 表記: | 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine | 組成式: | C13 H14 N4 O | SMILES: | n3c1ccccc1c2c(nc(n2)COCC)c3N | InChi: | InChI=1S/C13H14N4O/c1-2-18-7-10-16-11-8-5-3-4-6-9(8)15-13(14)12(11)17-10/h3-6H,2,7H2,1H3,(H2,14,15)(H,16,17) | 別名: | CL097 | 定義日: | 2013-01-22 | 最終更新日: | 2020-06-17 | 公開日: | 2013-04-03 | 識別子(ID): | 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine |
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![2EL 2EL](https://data.pdbj.org/pdbjplus/data/cc/svg/2EL.svg) | 2EL | 表記: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3-
ol | 組成式: | C16 H25 N5 O3 S | SMILES: | OCCOCCSCC3CN(Cc2cnc1c2ncnc1N)CC3O | InChi: | InChI=1S/C16H25N5O3S/c17-16-15-14(19-10-20-16)11(5-18-15)6-21-7-12(13(23)8-21)9-25-4-3-24-2-1-22/h5,10,12-13,18,22-23H,1-4,6-9H2,(H2,17,19,20)/t12-,13+/m1/s1 | 別名: | DIETGLYCOL-THIO-DADME-IMMUCILLIN-A | 定義日: | 2012-05-09 | 最終更新日: | 2020-06-17 | 公開日: | 2013-05-01 | 識別子(ID): | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3-ol |
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![885 885](https://data.pdbj.org/pdbjplus/data/cc/svg/885.svg) | 885 | 表記: | 1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE | 組成式: | C12 H15 Cl N2 O4 S | SMILES: | O=C(O)C2N(S(=O)(=O)c1cc(c(Cl)cc1N)C)CCC2 | InChi: | InChI=1S/C12H15ClN2O4S/c1-7-5-11(9(14)6-8(7)13)20(18,19)15-4-2-3-10(15)12(16)17/h5-6,10H,2-4,14H2,1H3,(H,16,17)/t10-/m0/s1 | 別名: | 1-(2-AMINO-4-CHLORO-5-METHYLPHENYLSULFONYL)PYRROLIDINE-2-CARBOXYLIC ACID | 定義日: | 2006-03-15 | 最終更新日: | 2020-06-17 | 識別子(ID): | 1-[(2-amino-4-chloro-5-methylphenyl)sulfonyl]-L-proline |
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![88A 88A](https://data.pdbj.org/pdbjplus/data/cc/svg/88A.svg) | 88A | 表記: | 8-(4-methylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine | 組成式: | C23 H23 N5 O3 S | SMILES: | O=S(=O)(c1ccc(cc1)c2cccn3nc(nc23)Nc5ccc(N4CCOCC4)cc5)C | InChi: | InChI=1S/C23H23N5O3S/c1-32(29,30)20-10-4-17(5-11-20)21-3-2-12-28-22(21)25-23(26-28)24-18-6-8-19(9-7-18)27-13-15-31-16-14-27/h2-12H,13-16H2,1H3,(H,24,26) | 別名: | [8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(4-morpholin-4-yl-phenyl)-amine | 定義日: | 2012-04-16 | 最終更新日: | 2020-06-17 | 識別子(ID): | 8-[4-(methylsulfonyl)phenyl]-N-[4-(morpholin-4-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine |
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![893 893](https://data.pdbj.org/pdbjplus/data/cc/svg/893.svg) | 893 | 表記: | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE | 組成式: | C18 H19 N3 O4 | SMILES: | O=C(c1nc(OCC)c(C#N)cc1)NCc2cc(OC)ccc2OC | InChi: | InChI=1S/C18H19N3O4/c1-4-25-18-12(10-19)5-7-15(21-18)17(22)20-11-13-9-14(23-2)6-8-16(13)24-3/h5-9H,4,11H2,1-3H3,(H,20,22) | 別名: | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPICOLINAMIDE | 定義日: | 2006-06-09 | 最終更新日: | 2020-06-17 | 識別子(ID): | 5-cyano-N-(2,5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide |
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![8AJ 8AJ](https://data.pdbj.org/pdbjplus/data/cc/svg/8AJ.svg) | 8AJ | 表記: | 2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine | 組成式: | C20 H19 Cl N4 | SMILES: | c4c(Cl)cc1c(n3c(cc1c2ccccc2)nnc3CCN(C)C)c4 | InChi: | InChI=1S/C20H19ClN4/c1-24(2)11-10-19-22-23-20-13-16(14-6-4-3-5-7-14)17-12-15(21)8-9-18(17)25(19)20/h3-9,12-13H,10-11H2,1-2H3 | 別名: | PF-02929366 | 定義日: | 2017-01-16 | 最終更新日: | 2020-06-17 | 公開日: | 2017-05-17 | 識別子(ID): | 2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine |
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![8DV 8DV](https://data.pdbj.org/pdbjplus/data/cc/svg/8DV.svg) | 8DV | 表記: | (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine | 組成式: | C23 H26 N4 O3 S | SMILES: | C1(C)COCCN1c6cc(C3(S(=O)(=O)C2CC2)CC3)nc(c4c5c(ccc4)ncc5)n6 | InChi: | InChI=1S/C23H26N4O3S/c1-15-14-30-12-11-27(15)21-13-20(23(8-9-23)31(28,29)16-5-6-16)25-22(26-21)18-3-2-4-19-17(18)7-10-24-19/h2-4,7,10,13,15-16,24H,5-6,8-9,11-12,14H2,1H3/t15-/m1/s1 | 別名: | 4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl}-1H-indole | 定義日: | 2017-01-26 | 最終更新日: | 2020-06-17 | 公開日: | 2017-06-14 | 識別子(ID): | 4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl}-1H-indole |
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![NV2 NV2](https://data.pdbj.org/pdbjplus/data/cc/svg/NV2.svg) | NV2 | 表記: | 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one | 組成式: | C23 H30 N4 O4 | SMILES: | COCC(COC)n1c2ccc(cc2nc1C3=CN(C)C(=O)C(=C3)C)N4CCOCC4 | InChi: | InChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3 | 別名: | 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one | 定義日: | 2019-12-16 | 最終更新日: | 2020-06-17 | 公開日: | 2020-01-15 | 識別子(ID): | 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one |
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![O31 O31](https://data.pdbj.org/pdbjplus/data/cc/svg/O31.svg) | O31 | 表記: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop
ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17,
3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide | 組成式: | C38 H46 F4 N6 O9 S | SMILES: | C7(C(C(NS(C1(C)CC1)(=O)=O)=O)(NC(C3CC4Oc6c(C(C=CCOC2C(CCC2)OC(=O)NC(C(N3C4)=O)C(C)(C)C)(F)F)nc5ccccc5n6)=O)C7)C(F)F | InChi: | InChI=1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1 | 別名: | glecaprevir | 定義日: | 2019-06-05 | 最終更新日: | 2020-06-17 | 公開日: | 2020-06-10 | 識別子(ID): | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide |
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![O33 O33](https://data.pdbj.org/pdbjplus/data/cc/svg/O33.svg) | O33 | 表記: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-
L-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | 組成式: | C40 H45 N5 O7 S2 | SMILES: | O=C(NC2c1ccccc1CC2O)C6N(C(=O)C(O)C(NC(=O)C(NC(=O)COc4c3ccncc3ccc4)CSC)Cc5ccccc5)CSC6(C)C | InChi: | InChI=1S/C40H45N5O7S2/c1-40(2)36(38(50)44-34-28-14-8-7-12-25(28)19-31(34)46)45(23-54-40)39(51)35(48)29(18-24-10-5-4-6-11-24)43-37(49)30(22-53-3)42-33(47)21-52-32-15-9-13-26-20-41-17-16-27(26)32/h4-17,20,29-31,34-36,46,48H,18-19,21-23H2,1-3H3,(H,42,47)(H,43,49)(H,44,50)/t29-,30-,31+,34-,35-,36+/m0/s1 | 別名: | KNI-10033 | 定義日: | 2007-04-18 | 最終更新日: | 2020-06-17 | 識別子(ID): | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
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![8OU 8OU](https://data.pdbj.org/pdbjplus/data/cc/svg/8OU.svg) | 8OU | 表記: | 4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8H-pyrido[4,3-d]pyrimidin-5-one | 組成式: | C20 H21 N7 O2 | SMILES: | Cn1ncc2cc(Nc3nc(nc4CC=NC(=O)c34)N5CCC(O)CC5)ccc12 | InChi: | InChI=1S/C20H21N7O2/c1-26-16-3-2-13(10-12(16)11-22-26)23-18-17-15(4-7-21-19(17)29)24-20(25-18)27-8-5-14(28)6-9-27/h2-3,7,10-11,14,28H,4-6,8-9H2,1H3,(H,23,24,25) | 別名: | 2-(4-hydroxypiperidin-1-yl)-4-((1-methyl-1H-indazol-5-yl)amino)pyrido[4,3-d]pyrimidin-5(6H)-one | 定義日: | 2017-08-23 | 最終更新日: | 2020-06-17 | 公開日: | 2018-06-27 | 識別子(ID): | 4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8~{H}-pyrido[4,3-d]pyrimidin-5-one |
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![O7B O7B](https://data.pdbj.org/pdbjplus/data/cc/svg/O7B.svg) | O7B | 表記: | (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one | 組成式: | C19 H24 N2 O | SMILES: | O=C1N(C[CH]2CCCc3cccc1c23)[CH]4CN5CCC4CC5 | InChi: | InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1 | 別名: | Palonosetron | 定義日: | 2020-02-17 | 最終更新日: | 2020-06-17 | 公開日: | 2020-03-04 | 識別子(ID): | (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one |
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![PY5 PY5](https://data.pdbj.org/pdbjplus/data/cc/svg/PY5.svg) | PY5 | 表記: | 2-[O-PHOSPHONOPYRIDOXYL]-AMINO-PENTANOIC ACID | 組成式: | C13 H21 N2 O7 P | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCC | InChi: | InChI=1S/C13H21N2O7P/c1-3-4-11(13(17)18)15-6-10-9(7-22-23(19,20)21)5-14-8(2)12(10)16/h5,11,15-16H,3-4,6-7H2,1-2H3,(H,17,18)(H2,19,20,21)/t11-/m0/s1 | 別名: | VITAMIN B6 COMPLEXED WITH 2-AMINO-PENTANOIC ACID | 定義日: | 1999-08-18 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-norvaline |
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![PN6 PN6](https://data.pdbj.org/pdbjplus/data/cc/svg/PN6.svg) | PN6 | 表記: | (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione | 組成式: | C19 H20 N4 O2 | SMILES: | [C@H](c1ncnc1C(C)(C)C)=C2NC(=O)C(NC2=O)=[C@H]c3ccccc3 | InChi: | InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10- | 別名: | Plinabulin | 定義日: | 2015-08-28 | 最終更新日: | 2020-06-17 | 公開日: | 2015-11-04 | 識別子(ID): | (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione |
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![PNV PNV](https://data.pdbj.org/pdbjplus/data/cc/svg/PNV.svg) | PNV | 表記: | (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID | 組成式: | C16 H18 N2 O5 S | SMILES: | c1c(cccc1)OCC(NC2C(N3C2SC(C)(C)C3C(=O)O)=O)=O | InChi: | InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | 別名: | PENICILLIN V | 定義日: | 2005-11-14 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
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![PNX PNX](https://data.pdbj.org/pdbjplus/data/cc/svg/PNX.svg) | PNX | 表記: | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE | 組成式: | C13 H18 N4 O3 | SMILES: | O=C2N(c1ncn(c1C(=O)N2CCCCC(=O)C)C)C | InChi: | InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | 別名: | PENTOXIFYLLINE | 定義日: | 2005-06-28 | 最終更新日: | 2020-06-17 | 識別子(ID): | 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione |
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![POY POY](https://data.pdbj.org/pdbjplus/data/cc/svg/POY.svg) | POY | 表記: | 3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione | 組成式: | C15 H22 N4 O3 | SMILES: | O=C2c1n(cnc1N(C(=O)N2CCCCC(=O)C)C)CCC | InChi: | InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3 | 別名: | Propentofylline | 定義日: | 2010-12-21 | 最終更新日: | 2020-06-17 | 識別子(ID): | 3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione |
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![PQJ PQJ](https://data.pdbj.org/pdbjplus/data/cc/svg/PQJ.svg) | PQJ | 表記: | fos-choline-14 | 組成式: | C19 H43 N O4 P | SMILES: | CCCCCCCCCCCCCCO[P](O)(=O)OCC[N](C)(C)C | InChi: | InChI=1S/C19H43NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-23-25(21,22)24-19-17-20(2,3)4/h5-19H2,1-4H3,(H,21,22) | 別名: | tetradecyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate | 定義日: | 2019-08-21 | 最終更新日: | 2020-06-17 | 公開日: | 2020-03-25 | 識別子(ID): | tetradecyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate |
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