![L4J L4J](https://data.pdbj.org/pdbjplus/data/cc/svg/L4J.svg) | L4J | 表記: | N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide | 組成式: | C34 H52 N4 O4 S | SMILES: | c32cccc(CC(NC(=O)c1cc(cc(c1)CCCC2)N(CCC)S(=O)(C)=O)CNC(C(=O)NCC(C)C)CCCC)c3 | InChi: | InChI=1S/C34H52N4O4S/c1-6-8-16-32(34(40)36-23-25(3)4)35-24-30-20-27-15-11-14-26(18-27)12-9-10-13-28-19-29(33(39)37-30)22-31(21-28)38(17-7-2)43(5,41)42/h11,14-15,18-19,21-22,25,30,32,35H,6-10,12-13,16-17,20,23-24H2,1-5H3,(H,36,40)(H,37,39)/t30-,32-/m0/s1 | 定義日: | 2019-02-06 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide |
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![KAV KAV](https://data.pdbj.org/pdbjplus/data/cc/svg/KAV.svg) | KAV | 表記: | N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide | 組成式: | C23 H19 F3 N6 O2 | SMILES: | c1(ccc(cc1)C(F)(F)F)Nc5n(C)c4c(cc(Oc3cc(NC(C2CC2)=O)ncn3)cc4)n5 | InChi: | InChI=1S/C23H19F3N6O2/c1-32-18-9-8-16(34-20-11-19(27-12-28-20)31-21(33)13-2-3-13)10-17(18)30-22(32)29-15-6-4-14(5-7-15)23(24,25)26/h4-13H,2-3H2,1H3,(H,29,30)(H,27,28,31,33) | 定義日: | 2018-11-16 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide |
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![KCZ KCZ](https://data.pdbj.org/pdbjplus/data/cc/svg/KCZ.svg) | KCZ | 表記: | 4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol | 組成式: | C17 H21 N O2 | SMILES: | C[CH](CNCCc1ccc(O)c(O)c1)c2ccccc2 | InChi: | InChI=1S/C17H21NO2/c1-13(15-5-3-2-4-6-15)12-18-10-9-14-7-8-16(19)17(20)11-14/h2-8,11,13,18-20H,9-10,12H2,1H3/t13-/m0/s1 | 定義日: | 2019-05-13 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | 4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol |
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![ZWP ZWP](https://data.pdbj.org/pdbjplus/data/cc/svg/ZWP.svg) | ZWP | 表記: | 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate | 組成式: | C21 H21 N3 O | SMILES: | c1cccc4c1c(Cc2c[n+]3c(c(n2)[O-])CC=C3)c(C(C)(C)C=C)n4 | InChi: | InChI=1S/C21H21N3O/c1-4-21(2,3)19-16(15-8-5-6-9-17(15)23-19)12-14-13-24-11-7-10-18(24)20(25)22-14/h4-9,11,13,23H,1,10,12H2,2-3H3 | 定義日: | 2019-01-12 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate |
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![JNN JNN](https://data.pdbj.org/pdbjplus/data/cc/svg/JNN.svg) | JNN | 表記: | 5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{N}-oxidanyl-1,2-oxazole-3-carboxamide | 組成式: | C13 H11 Cl2 N3 O4 | SMILES: | ONC(=O)c1cc(CCNC(=O)c2ccc(Cl)c(Cl)c2)on1 | InChi: | InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20) | 定義日: | 2019-03-13 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | 5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{N}-oxidanyl-1,2-oxazole-3-carboxamide |
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![LCJ LCJ](https://data.pdbj.org/pdbjplus/data/cc/svg/LCJ.svg) | LCJ | 表記: | 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide | 組成式: | C16 H14 F I N4 O3 | SMILES: | c1(c(C(=O)NOCCO)ccc2n1cnc2)Nc3c(F)cc(cc3)I | InChi: | InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24) | 定義日: | 2019-02-19 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide |
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![OOJ OOJ](https://data.pdbj.org/pdbjplus/data/cc/svg/OOJ.svg) | OOJ | 表記: | N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea | 組成式: | C20 H15 F3 N6 O2 S2 | SMILES: | C(F)(F)(c4cc(NC(Nc3nnc(SCC=2N=C1C=CC(C)=CN1C(=O)C=2)s3)=O)ccc4)F | InChi: | InChI=1S/C20H15F3N6O2S2/c1-11-5-6-15-24-14(8-16(30)29(15)9-11)10-32-19-28-27-18(33-19)26-17(31)25-13-4-2-3-12(7-13)20(21,22)23/h2-9H,10H2,1H3,(H2,25,26,27,31) | 定義日: | 2019-07-02 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea |
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![H9T H9T](https://data.pdbj.org/pdbjplus/data/cc/svg/H9T.svg) | H9T | 表記: | (1~{S},2~{S},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol | 組成式: | C7 H13 N O4 | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[CH]12 | InChi: | InChI=1S/C7H13NO4/c9-1-2-3-4(8-3)6(11)7(12)5(2)10/h2-12H,1H2/t2-,3-,4-,5-,6-,7-/m0/s1 | 定義日: | 2018-12-03 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | (1~{S},2~{S},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol |
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![HBE HBE](https://data.pdbj.org/pdbjplus/data/cc/svg/HBE.svg) | HBE | 表記: | (2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol | 組成式: | C7 H12 O5 | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[CH]12 | InChi: | InChI=1S/C7H12O5/c8-1-2-3(9)4(10)5(11)7-6(2)12-7/h2-11H,1H2/t2-,3+,4+,5-,6+,7-/m1/s1 | 定義日: | 2018-12-03 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | (2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol |
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![ODJ ODJ](https://data.pdbj.org/pdbjplus/data/cc/svg/ODJ.svg) | ODJ | 表記: | N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide | 組成式: | C25 H22 N6 O3 | SMILES: | c4cc5c(C(Nc3ccc(NC(c2c1ccc(cn1nc2)OC)=O)c(C)c3)=O)nn(C)c5cc4 | InChi: | InChI=1S/C25H22N6O3/c1-15-12-16(27-25(33)23-18-6-4-5-7-21(18)30(2)29-23)8-10-20(15)28-24(32)19-13-26-31-14-17(34-3)9-11-22(19)31/h4-14H,1-3H3,(H,27,33)(H,28,32) | 定義日: | 2019-06-21 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide |
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![KRT KRT](https://data.pdbj.org/pdbjplus/data/cc/svg/KRT.svg) | KRT | 表記: | (~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid | 組成式: | C9 H9 B O4 | SMILES: | OB(O)c1cccc(C=CC(O)=O)c1 | InChi: | InChI=1S/C9H9BO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6,13-14H,(H,11,12)/b5-4+ | 定義日: | 2019-06-19 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | (~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid |
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![Q1D Q1D](https://data.pdbj.org/pdbjplus/data/cc/svg/Q1D.svg) | Q1D | 表記: | {4-[{(2R,3S)-3-[({[(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid | 組成式: | C29 H39 B N2 O9 S | SMILES: | c1c(ccc(c1)B(O)O)S(N(CC(O)C(Cc2ccccc2)NC(OC5C3COC4C(C3)C5CO4)=O)CC(C)C)(=O)=O | InChi: | InChI=1S/C29H39BN2O9S/c1-18(2)14-32(42(37,38)22-10-8-21(9-11-22)30(35)36)15-26(33)25(12-19-6-4-3-5-7-19)31-29(34)41-27-20-13-23-24(27)17-40-28(23)39-16-20/h3-11,18,20,23-28,33,35-36H,12-17H2,1-2H3,(H,31,34)/t20-,23-,24-,25+,26-,27+,28+/m1/s1 | 定義日: | 2019-09-04 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | {4-[{(2R,3S)-3-[({[(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid |
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![HF8 HF8](https://data.pdbj.org/pdbjplus/data/cc/svg/HF8.svg) | HF8 | 表記: | [(1~{S},2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate | 組成式: | C7 H14 O9 S | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O | InChi: | InChI=1S/C7H14O9S/c8-1-2-3(9)4(10)5(11)6(12)7(2)16-17(13,14)15/h2-12H,1H2,(H,13,14,15)/t2-,3+,4+,5-,6+,7+/m1/s1 | 定義日: | 2018-12-04 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | [(1~{S},2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate |
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![M0B M0B](https://data.pdbj.org/pdbjplus/data/cc/svg/M0B.svg) | M0B | 表記: | 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine | 組成式: | C21 H20 F3 N3 O2 | SMILES: | CC(C)Oc1nn(c(C)c1Oc2c(F)cccc2F)c3ncc(cc3F)C4CC4 | InChi: | InChI=1S/C21H20F3N3O2/c1-11(2)28-21-18(29-19-15(22)5-4-6-16(19)23)12(3)27(26-21)20-17(24)9-14(10-25-20)13-7-8-13/h4-6,9-11,13H,7-8H2,1-3H3 | 定義日: | 2019-10-01 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine |
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![DZ6 DZ6](https://data.pdbj.org/pdbjplus/data/cc/svg/DZ6.svg) | DZ6 | 表記: | 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide | 組成式: | C36 H37 N7 O | SMILES: | CC(C)c1cc(NC(=O)c2cccc(C#Cc3cnc4cnc(cn34)c5ccc(N)cc5)c2C)cc(c1)N6CCN(C)CC6 | InChi: | InChI=1S/C36H37N7O/c1-24(2)28-18-30(20-32(19-28)42-16-14-41(4)15-17-42)40-36(44)33-7-5-6-26(25(33)3)10-13-31-21-39-35-22-38-34(23-43(31)35)27-8-11-29(37)12-9-27/h5-9,11-12,18-24H,14-17,37H2,1-4H3,(H,40,44) | 定義日: | 2019-09-26 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide |
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![DZC DZC](https://data.pdbj.org/pdbjplus/data/cc/svg/DZC.svg) | DZC | 表記: | 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide | 組成式: | C28 H25 F3 N6 O | SMILES: | CN1CCN(CC1)c2cc(NC(=O)c3cccc(C#Cc4cnc5cnccn45)c3C)cc(c2)C(F)(F)F | InChi: | InChI=1S/C28H25F3N6O/c1-19-20(6-7-23-17-33-26-18-32-8-9-37(23)26)4-3-5-25(19)27(38)34-22-14-21(28(29,30)31)15-24(16-22)36-12-10-35(2)11-13-36/h3-5,8-9,14-18H,10-13H2,1-2H3,(H,34,38) | 定義日: | 2019-09-26 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide |
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![B4R B4R](https://data.pdbj.org/pdbjplus/data/cc/svg/B4R.svg) | B4R | 表記: | {4-[{(2R,3S)-3-[({[(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid | 組成式: | C28 H39 B N2 O9 S | SMILES: | O=S(=O)(N(CC(O)C(NC(OC1CCOC2C1CCO2)=O)Cc3ccccc3)CC(C)C)c4ccc(cc4)B(O)O | InChi: | InChI=1S/C28H39BN2O9S/c1-19(2)17-31(41(36,37)22-10-8-21(9-11-22)29(34)35)18-25(32)24(16-20-6-4-3-5-7-20)30-28(33)40-26-13-15-39-27-23(26)12-14-38-27/h3-11,19,23-27,32,34-35H,12-18H2,1-2H3,(H,30,33)/t23-,24-,25+,26-,27+/m0/s1 | 定義日: | 2019-09-04 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | {4-[{(2R,3S)-3-[({[(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid |
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![SRV SRV](https://data.pdbj.org/pdbjplus/data/cc/svg/SRV.svg) | SRV | 表記: | (2S)-2-(heptadecanoyloxy)-3-{[(10S)-10-methyloctadecanoyl]oxy}propyl alpha-D-glucopyranosiduronic acid | 組成式: | C45 H84 O11 | SMILES: | OC1C(O)C(O)C(OC1C(O)=O)OCC(COC(=O)CCCCCCCCC(CCCCCCCC)C)OC(=O)CCCCCCCCCCCCCCCC | InChi: | InChI=1S/C45H84O11/c1-4-6-8-10-12-13-14-15-16-17-18-19-25-29-33-39(47)55-37(35-54-45-42(50)40(48)41(49)43(56-45)44(51)52)34-53-38(46)32-28-24-21-20-23-27-31-36(3)30-26-22-11-9-7-5-2/h36-37,40-43,45,48-50H,4-35H2,1-3H3,(H,51,52)/t36-,37+,40-,41-,42+,43-,45-/m0/s1 | 定義日: | 2018-10-18 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | (2S)-2-(heptadecanoyloxy)-3-{[(10S)-10-methyloctadecanoyl]oxy}propyl alpha-D-glucopyranosiduronic acid |
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![KBH KBH](https://data.pdbj.org/pdbjplus/data/cc/svg/KBH.svg) | KBH | 表記: | 4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid | 組成式: | C13 H8 F2 O4 S | SMILES: | OC(=O)c1ccc(c2ccc(F)cc2)c(c1)[S](F)(=O)=O | InChi: | InChI=1S/C13H8F2O4S/c14-10-4-1-8(2-5-10)11-6-3-9(13(16)17)7-12(11)20(15,18)19/h1-7H,(H,16,17) | 定義日: | 2019-05-09 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid |
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![KCM KCM](https://data.pdbj.org/pdbjplus/data/cc/svg/KCM.svg) | KCM | 表記: | N-[(4S,5S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]guanidine | 組成式: | C13 H19 N5 O S | SMILES: | C(CCCNC(N)=N)(N)C(c1sc2c(n1)cccc2)O | InChi: | InChI=1S/C13H19N5OS/c14-8(4-3-7-17-13(15)16)11(19)12-18-9-5-1-2-6-10(9)20-12/h1-2,5-6,8,11,19H,3-4,7,14H2,(H4,15,16,17)/t8-,11-/m0/s1 | 定義日: | 2018-11-20 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | N-[(4S,5S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]guanidine |
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![KD7 KD7](https://data.pdbj.org/pdbjplus/data/cc/svg/KD7.svg) | KD7 | 表記: | N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide | 組成式: | C33 H42 N8 O4 S2 | SMILES: | C(=O)(CCc1ccccc1)NC(C(=O)NC(C(=O)NC(CCCNC(N)=N)C(c2sc3c(n2)cccc3)O)C(C)C)Cc4cscn4 | InChi: | InChI=1S/C33H42N8O4S2/c1-20(2)28(41-30(44)25(17-22-18-46-19-37-22)38-27(42)15-14-21-9-4-3-5-10-21)31(45)39-24(12-8-16-36-33(34)35)29(43)32-40-23-11-6-7-13-26(23)47-32/h3-7,9-11,13,18-20,24-25,28-29,43H,8,12,14-17H2,1-2H3,(H,38,42)(H,39,45)(H,41,44)(H4,34,35,36)/t24-,25-,28-,29-/m0/s1 | 定義日: | 2018-11-20 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide |
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![OE7 OE7](https://data.pdbj.org/pdbjplus/data/cc/svg/OE7.svg) | OE7 | 表記: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid | 組成式: | C21 H16 Cl N5 O4 | SMILES: | N=2c1ncc(c1C(=O)NC=2N)Cc3ccc(cc3)C(=O)Nc4cc(Cl)ccc4C(O)=O | InChi: | InChI=1S/C21H16ClN5O4/c22-13-5-6-14(20(30)31)15(8-13)25-18(28)11-3-1-10(2-4-11)7-12-9-24-17-16(12)19(29)27-21(23)26-17/h1-6,8-9H,7H2,(H,25,28)(H,30,31)(H4,23,24,26,27,29) | 定義日: | 2019-06-24 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid |
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![OEA OEA](https://data.pdbj.org/pdbjplus/data/cc/svg/OEA.svg) | OEA | 表記: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid | 組成式: | C22 H19 N5 O5 | SMILES: | c1cc(ccc1Cc3c2C(=O)NC(=Nc2nc3)N)C(Nc4cc(OC)ccc4C(O)=O)=O | InChi: | InChI=1S/C22H19N5O5/c1-32-14-6-7-15(21(30)31)16(9-14)25-19(28)12-4-2-11(3-5-12)8-13-10-24-18-17(13)20(29)27-22(23)26-18/h2-7,9-10H,8H2,1H3,(H,25,28)(H,30,31)(H4,23,24,26,27,29) | 定義日: | 2019-06-24 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid |
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![OED OED](https://data.pdbj.org/pdbjplus/data/cc/svg/OED.svg) | OED | 表記: | [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid | 組成式: | C23 H21 N5 O5 | SMILES: | O=C4c3c(ncc3Cc1ccc(cc1)C(=O)Nc2cc(ccc2CC(O)=O)OC)N=C(N4)N | InChi: | InChI=1S/C23H21N5O5/c1-33-16-7-6-14(9-18(29)30)17(10-16)26-21(31)13-4-2-12(3-5-13)8-15-11-25-20-19(15)22(32)28-23(24)27-20/h2-7,10-11H,8-9H2,1H3,(H,26,31)(H,29,30)(H4,24,25,27,28,32) | 定義日: | 2019-06-24 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid |
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![OEJ OEJ](https://data.pdbj.org/pdbjplus/data/cc/svg/OEJ.svg) | OEJ | 表記: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid | 組成式: | C22 H17 N5 O6 | SMILES: | C(c1ccc(cc1)Cc2cnc3c2C(=O)NC(=N3)N)(Nc4cc(C(O)=O)ccc4C(O)=O)=O | InChi: | InChI=1S/C22H17N5O6/c23-22-26-17-16(19(29)27-22)13(9-24-17)7-10-1-3-11(4-2-10)18(28)25-15-8-12(20(30)31)5-6-14(15)21(32)33/h1-6,8-9H,7H2,(H,25,28)(H,30,31)(H,32,33)(H4,23,24,26,27,29) | 定義日: | 2019-06-24 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid |
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