![7PU 7PU](https://data.pdbj.org/pdbjplus/data/cc/svg/7PU.svg) | 7PU | 表記: | N-[3-[[6-[[3-[bis(fluoranyl)methyl]phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide | 組成式: | C21 H19 F2 N5 O | SMILES: | FC(F)c1cccc(Nc2cc(Nc3cccc(NC(=O)C4CC4)c3)ncn2)c1 | InChi: | InChI=1S/C21H19F2N5O/c22-20(23)14-3-1-4-15(9-14)26-18-11-19(25-12-24-18)27-16-5-2-6-17(10-16)28-21(29)13-7-8-13/h1-6,9-13,20H,7-8H2,(H,28,29)(H2,24,25,26,27) | 定義日: | 2021-10-12 | 最終更新日: | 2022-10-14 | 公開日: | 2022-10-19 | 識別子(ID): | ~{N}-[3-[[6-[[3-[bis(fluoranyl)methyl]phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide |
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![7TU 7TU](https://data.pdbj.org/pdbjplus/data/cc/svg/7TU.svg) | 7TU | 表記: | (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole | 組成式: | C38 H34 N4 | SMILES: | C(N1C=N[CH]([CH]1c2ccccc2)c3ccccc3)c4cccc(CN5C=N[CH]([CH]5c6ccccc6)c7ccccc7)c4 | InChi: | InChI=1S/C38H34N4/c1-5-16-31(17-6-1)35-37(33-20-9-3-10-21-33)41(27-39-35)25-29-14-13-15-30(24-29)26-42-28-40-36(32-18-7-2-8-19-32)38(42)34-22-11-4-12-23-34/h1-24,27-28,35-38H,25-26H2/t35-,36-,37-,38-/m0/s1 | 定義日: | 2021-10-26 | 最終更新日: | 2022-10-14 | 公開日: | 2022-10-19 | 識別子(ID): | (4~{S},5~{S})-1-[[3-[[(4~{S},5~{S})-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole |
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![98F 98F](https://data.pdbj.org/pdbjplus/data/cc/svg/98F.svg) | 98F | 表記: | 9-[(1R,6R,8R,13E,15R,17R,18R)-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,16-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadec-13-en-8-yl]purin-6-amine | 組成式: | C21 H22 F2 N10 O9 P2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5C=C[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67 | InChi: | InChI=1S/C21H22F2N10O9P2/c22-10-14-8(39-20(10)32-6-30-12-16(24)26-4-28-18(12)32)1-2-43(34,35)41-15-9(3-38-44(36,37)42-14)40-21(11(15)23)33-7-31-13-17(25)27-5-29-19(13)33/h1-2,4-11,14-15,20-21H,3H2,(H,34,35)(H,36,37)(H2,24,26,28)(H2,25,27,29)/b2-1+/t8-,9-,10-,11-,14-,15-,20-,21-/m1/s1 | 定義日: | 2021-11-10 | 最終更新日: | 2022-10-14 | 公開日: | 2022-10-19 | 識別子(ID): | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},13~{E},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,16-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadec-13-en-8-yl]purin-6-amine |
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![9I4 9I4](https://data.pdbj.org/pdbjplus/data/cc/svg/9I4.svg) | 9I4 | 表記: | (2-{[3-({4-[2-(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzamido)ethyl]piperazin-1-yl}methyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid | 組成式: | C46 H41 N3 O7 | SMILES: | O=C(O)Cc1c2cc(C)ccc2oc1C#Cc1cccc(c1)C(=O)NCCN1CCN(CC1)Cc1cccc(c1)C#Cc1oc2ccc(C)cc2c1CC(=O)O | InChi: | InChI=1S/C46H41N3O7/c1-30-9-13-40-36(23-30)38(27-44(50)51)42(55-40)15-11-32-5-3-7-34(25-32)29-49-21-19-48(20-22-49)18-17-47-46(54)35-8-4-6-33(26-35)12-16-43-39(28-45(52)53)37-24-31(2)10-14-41(37)56-43/h3-10,13-14,23-26H,17-22,27-29H2,1-2H3,(H,47,54)(H,50,51)(H,52,53) | 定義日: | 2021-10-13 | 最終更新日: | 2022-10-14 | 公開日: | 2022-10-19 | 識別子(ID): | (2-{[3-({4-[2-(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzamido)ethyl]piperazin-1-yl}methyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid |
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![8IK 8IK](https://data.pdbj.org/pdbjplus/data/cc/svg/8IK.svg) | 8IK | 表記: | (2S)-2-azanyl-3-(6-methyl-1H-indol-3-yl)propanoic acid | 組成式: | C12 H14 N2 O2 | SMILES: | Cc1ccc2c(C[CH](N)C(O)=O)c[nH]c2c1 | InChi: | InChI=1S/C12H14N2O2/c1-7-2-3-9-8(5-10(13)12(15)16)6-14-11(9)4-7/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1 | 定義日: | 2021-12-15 | 最終更新日: | 2022-10-14 | 公開日: | 2022-10-19 | 識別子(ID): | (2~{S})-2-azanyl-3-(6-methyl-1~{H}-indol-3-yl)propanoic acid |
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![DD0 DD0](https://data.pdbj.org/pdbjplus/data/cc/svg/DD0.svg) | DD0 | 表記: | 2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one | 組成式: | C14 H18 F2 N4 O3 | SMILES: | COc1nc(N)nc2CN([CH]3[CH](O)CCCCC3(F)F)C(=O)c12 | InChi: | InChI=1S/C14H18F2N4O3/c1-23-11-9-7(18-13(17)19-11)6-20(12(9)22)10-8(21)4-2-3-5-14(10,15)16/h8,10,21H,2-6H2,1H3,(H2,17,18,19)/t8-,10-/m0/s1 | 定義日: | 2021-12-14 | 最終更新日: | 2022-10-14 | 公開日: | 2022-10-19 | 識別子(ID): | 2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one |
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![IX9 IX9](https://data.pdbj.org/pdbjplus/data/cc/svg/IX9.svg) | IX9 | 表記: | 6-(3-methylphenoxy)-2-[4-(pyridin-2-yl)piperazin-1-yl]-9H-purine | 組成式: | C21 H21 N7 O | SMILES: | Cc1cc(ccc1)Oc1nc(nc2[NH]cnc12)N1CCN(CC1)c1ccccn1 | InChi: | InChI=1S/C21H21N7O/c1-15-5-4-6-16(13-15)29-20-18-19(24-14-23-18)25-21(26-20)28-11-9-27(10-12-28)17-7-2-3-8-22-17/h2-8,13-14H,9-12H2,1H3,(H,23,24,25,26) | 定義日: | 2022-02-01 | 最終更新日: | 2022-10-14 | 公開日: | 2022-10-19 | 識別子(ID): | 6-(3-methylphenoxy)-2-[4-(pyridin-2-yl)piperazin-1-yl]-9H-purine |
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![JIP JIP](https://data.pdbj.org/pdbjplus/data/cc/svg/JIP.svg) | JIP | 表記: | N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-N,1-dimethyl-3-phenyl-1H-1,2,4-triazol-5-amine | 組成式: | C18 H20 N8 | SMILES: | Cn1nc(nc1N(C)Cc1nc2c(C)ncc(C)n2n1)c1ccccc1 | InChi: | InChI=1S/C18H20N8/c1-12-10-19-13(2)17-20-15(22-26(12)17)11-24(3)18-21-16(23-25(18)4)14-8-6-5-7-9-14/h5-10H,11H2,1-4H3 | 定義日: | 2022-02-01 | 最終更新日: | 2022-10-14 | 公開日: | 2022-10-19 | 識別子(ID): | N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-N,1-dimethyl-3-phenyl-1H-1,2,4-triazol-5-amine |
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![K3F K3F](https://data.pdbj.org/pdbjplus/data/cc/svg/K3F.svg) | K3F | 表記: | 4-chloro-1-methyl-N-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-5-carboxamide | 組成式: | C18 H14 Cl N5 O | SMILES: | O=C(Nc1ccc2[NH]c(nc2c1)c1ccccc1)c1c(Cl)cnn1C | InChi: | InChI=1S/C18H14ClN5O/c1-24-16(13(19)10-20-24)18(25)21-12-7-8-14-15(9-12)23-17(22-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,25)(H,22,23) | 定義日: | 2022-02-02 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 4-chloro-1-methyl-N-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-5-carboxamide |
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![K3O K3O](https://data.pdbj.org/pdbjplus/data/cc/svg/K3O.svg) | K3O | 表記: | N~4~-ethyl-5-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | 組成式: | C15 H14 F3 N5 | SMILES: | FC(F)(F)c1cccc(c1)c1c[NH]c2nc(N)nc(NCC)c21 | InChi: | InChI=1S/C15H14F3N5/c1-2-20-12-11-10(7-21-13(11)23-14(19)22-12)8-4-3-5-9(6-8)15(16,17)18/h3-7H,2H2,1H3,(H4,19,20,21,22,23) | 定義日: | 2022-02-02 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | N~4~-ethyl-5-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
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![K40 K40](https://data.pdbj.org/pdbjplus/data/cc/svg/K40.svg) | K40 | 表記: | 5,8-dichloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one | 組成式: | C11 H8 Cl2 N2 O | SMILES: | O=C1NCCc2c1[NH]c1c(Cl)ccc(Cl)c12 | InChi: | InChI=1S/C11H8Cl2N2O/c12-6-1-2-7(13)10-8(6)5-3-4-14-11(16)9(5)15-10/h1-2,15H,3-4H2,(H,14,16) | 定義日: | 2022-02-02 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 5,8-dichloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one |
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![K49 K49](https://data.pdbj.org/pdbjplus/data/cc/svg/K49.svg) | K49 | 表記: | 6-cyclopropyl-N-{4-[(2-hydroxy-2-methylpropyl)carbamoyl]pyridin-3-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | 組成式: | C23 H25 N7 O3 | SMILES: | O=C(Nc1cnccc1C(=O)NCC(C)(C)O)c1nc(ccc1Nc1cncnc1)C1CC1 | InChi: | InChI=1S/C23H25N7O3/c1-23(2,33)12-27-21(31)16-7-8-24-11-19(16)30-22(32)20-18(28-15-9-25-13-26-10-15)6-5-17(29-20)14-3-4-14/h5-11,13-14,28,33H,3-4,12H2,1-2H3,(H,27,31)(H,30,32) | 定義日: | 2022-02-02 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 6-cyclopropyl-N-{4-[(2-hydroxy-2-methylpropyl)carbamoyl]pyridin-3-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide |
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![K4L K4L](https://data.pdbj.org/pdbjplus/data/cc/svg/K4L.svg) | K4L | 表記: | (5S)-5-(2-phenylethyl)[3,4'-bipyridin]-6(5H)-one | 組成式: | C18 H16 N2 O | SMILES: | O=C1N=CC(=CC1CCc1ccccc1)c1ccncc1 | InChi: | InChI=1S/C18H16N2O/c21-18-16(7-6-14-4-2-1-3-5-14)12-17(13-20-18)15-8-10-19-11-9-15/h1-5,8-13,16H,6-7H2/t16-/m0/s1 | 定義日: | 2022-02-02 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | (5S)-5-(2-phenylethyl)[3,4'-bipyridin]-6(5H)-one |
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![K4U K4U](https://data.pdbj.org/pdbjplus/data/cc/svg/K4U.svg) | K4U | 表記: | 6-cyclopropyl-N-{(4S)-4-[(piperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide | 組成式: | C21 H26 N8 O S | SMILES: | O=C(NC1=NC(CN2CCCCC2)CS1)c1nc(cnc1Nc1cncnc1)C1CC1 | InChi: | InChI=1S/C21H26N8OS/c30-20(28-21-26-16(12-31-21)11-29-6-2-1-3-7-29)18-19(25-15-8-22-13-23-9-15)24-10-17(27-18)14-4-5-14/h8-10,13-14,16H,1-7,11-12H2,(H,24,25)(H,26,28,30)/t16-/m0/s1 | 定義日: | 2022-02-03 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 6-cyclopropyl-N-{(4S)-4-[(piperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide |
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![YV7 YV7](https://data.pdbj.org/pdbjplus/data/cc/svg/YV7.svg) | YV7 | 表記: | D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide | 組成式: | C29 H37 F N4 O5 | SMILES: | Fc1ccc(cc1)CC(NC(=O)C(N)Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC | InChi: | InChI=1S/C29H37FN4O5/c1-2-39-26(35)13-12-23(18-21-14-15-32-27(21)36)33-29(38)25(17-20-8-10-22(30)11-9-20)34-28(37)24(31)16-19-6-4-3-5-7-19/h3-11,21,23-25H,2,12-18,31H2,1H3,(H,32,36)(H,33,38)(H,34,37)/t21-,23+,24+,25-/m0/s1 | 定義日: | 2021-04-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide |
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![YVA YVA](https://data.pdbj.org/pdbjplus/data/cc/svg/YVA.svg) | YVA | 表記: | ethyl (4R)-4-({3-cyclopropyl-N-[(2E)-3-(4-ethynylphenyl)prop-2-enoyl]-L-alanyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | 組成式: | C28 H35 N3 O5 | SMILES: | C#Cc1ccc(cc1)/C=C/C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC | InChi: | InChI=1S/C28H35N3O5/c1-3-19-5-7-20(8-6-19)11-13-25(32)31-24(17-21-9-10-21)28(35)30-23(12-14-26(33)36-4-2)18-22-15-16-29-27(22)34/h1,5-8,11,13,21-24H,4,9-10,12,14-18H2,2H3,(H,29,34)(H,30,35)(H,31,32)/b13-11+/t22-,23+,24-/m0/s1 | 定義日: | 2021-04-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | ethyl (4R)-4-({3-cyclopropyl-N-[(2E)-3-(4-ethynylphenyl)prop-2-enoyl]-L-alanyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate |
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![YVD YVD](https://data.pdbj.org/pdbjplus/data/cc/svg/YVD.svg) | YVD | 表記: | 4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide | 組成式: | C29 H36 F2 N4 O5 | SMILES: | Fc1ccc(cc1)CC(N)C(=O)NC(Cc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC | InChi: | InChI=1S/C29H36F2N4O5/c1-2-40-26(36)12-11-23(17-20-13-14-33-27(20)37)34-29(39)25(16-19-5-9-22(31)10-6-19)35-28(38)24(32)15-18-3-7-21(30)8-4-18/h3-10,20,23-25H,2,11-17,32H2,1H3,(H,33,37)(H,34,39)(H,35,38)/t20-,23+,24+,25-/m0/s1 | 定義日: | 2021-04-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide |
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![K5F K5F](https://data.pdbj.org/pdbjplus/data/cc/svg/K5F.svg) | K5F | 表記: | N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide | 組成式: | C21 H20 N6 O2 | SMILES: | O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N(C)C | InChi: | InChI=1S/C21H20N6O2/c1-25(2)21(29)16-12-22-26(3)19(16)20(28)23-15-9-10-27-13-17(24-18(27)11-15)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,28) | 定義日: | 2022-02-03 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide |
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![YVG YVG](https://data.pdbj.org/pdbjplus/data/cc/svg/YVG.svg) | YVG | 表記: | D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | 組成式: | C29 H38 N4 O5 | SMILES: | NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC | InChi: | InChI=1S/C29H38N4O5/c1-2-38-26(34)14-13-23(19-22-15-16-31-27(22)35)32-29(37)25(18-21-11-7-4-8-12-21)33-28(36)24(30)17-20-9-5-3-6-10-20/h3-12,22-25H,2,13-19,30H2,1H3,(H,31,35)(H,32,37)(H,33,36)/t22-,23+,24+,25-/m0/s1 | 定義日: | 2021-04-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide |
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![YVJ YVJ](https://data.pdbj.org/pdbjplus/data/cc/svg/YVJ.svg) | YVJ | 表記: | 4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | 組成式: | C29 H37 F N4 O5 | SMILES: | Fc1ccc(cc1)CC(N)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC | InChi: | InChI=1S/C29H37FN4O5/c1-2-39-26(35)13-12-23(18-21-14-15-32-27(21)36)33-29(38)25(17-19-6-4-3-5-7-19)34-28(37)24(31)16-20-8-10-22(30)11-9-20/h3-11,21,23-25H,2,12-18,31H2,1H3,(H,32,36)(H,33,38)(H,34,37)/t21-,23+,24+,25-/m0/s1 | 定義日: | 2021-04-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide |
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![YVM YVM](https://data.pdbj.org/pdbjplus/data/cc/svg/YVM.svg) | YVM | 表記: | 4-fluoro-N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | 組成式: | C35 H43 F N4 O7 | SMILES: | Fc1ccc(cc1)CC(NC(=O)CCOCC#C)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC | InChi: | InChI=1S/C35H43FN4O7/c1-3-19-46-20-17-31(41)39-29(22-25-10-12-27(36)13-11-25)35(45)40-30(21-24-8-6-5-7-9-24)34(44)38-28(14-15-32(42)47-4-2)23-26-16-18-37-33(26)43/h1,5-13,26,28-30H,4,14-23H2,2H3,(H,37,43)(H,38,44)(H,39,41)(H,40,45)/t26-,28+,29+,30-/m0/s1 | 定義日: | 2021-04-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 4-fluoro-N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide |
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![YVP YVP](https://data.pdbj.org/pdbjplus/data/cc/svg/YVP.svg) | YVP | 表記: | N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]-L-phenylalaninamide | 組成式: | C31 H40 N6 O5 | SMILES: | CC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CCOCC#C)Cc1ccccc1 | InChi: | InChI=1S/C31H40N6O5/c1-3-18-42-19-16-28(39)35-26(20-23-11-6-4-7-12-23)29(40)37-27(21-24-13-8-5-9-14-24)30(41)36-25(22(2)38)15-10-17-34-31(32)33/h1,4-9,11-14,25-27H,10,15-21H2,2H3,(H,35,39)(H,36,41)(H,37,40)(H4,32,33,34)/t25-,26+,27-/m0/s1 | 定義日: | 2021-04-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]-L-phenylalaninamide |
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![K5R K5R](https://data.pdbj.org/pdbjplus/data/cc/svg/K5R.svg) | K5R | 表記: | 6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | 組成式: | C21 H21 N7 O2 | SMILES: | O=C(Nc1cnccc1C(=O)N(C)C)c1nc(ccc1Nc1cncnc1)C1CC1 | InChi: | InChI=1S/C21H21N7O2/c1-28(2)21(30)15-7-8-22-11-18(15)27-20(29)19-17(25-14-9-23-12-24-10-14)6-5-16(26-19)13-3-4-13/h5-13,25H,3-4H2,1-2H3,(H,27,29) | 定義日: | 2022-02-03 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide |
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![YVV YVV](https://data.pdbj.org/pdbjplus/data/cc/svg/YVV.svg) | YVV | 表記: | N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | 組成式: | C35 H44 N4 O7 | SMILES: | C#CCOCCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC | InChi: | InChI=1S/C35H44N4O7/c1-3-20-45-21-18-31(40)38-29(22-25-11-7-5-8-12-25)35(44)39-30(23-26-13-9-6-10-14-26)34(43)37-28(15-16-32(41)46-4-2)24-27-17-19-36-33(27)42/h1,5-14,27-30H,4,15-24H2,2H3,(H,36,42)(H,37,43)(H,38,40)(H,39,44)/t27-,28+,29+,30-/m0/s1 | 定義日: | 2021-04-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide |
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![YVY YVY](https://data.pdbj.org/pdbjplus/data/cc/svg/YVY.svg) | YVY | 表記: | N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-(carbamoylamino)-2-oxohexan-3-yl]-L-phenylalaninamide | 組成式: | C31 H39 N5 O6 | SMILES: | CC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CCOCC#C)Cc1ccccc1 | InChi: | InChI=1S/C31H39N5O6/c1-3-18-42-19-16-28(38)34-26(20-23-11-6-4-7-12-23)29(39)36-27(21-24-13-8-5-9-14-24)30(40)35-25(22(2)37)15-10-17-33-31(32)41/h1,4-9,11-14,25-27H,10,15-21H2,2H3,(H,34,38)(H,35,40)(H,36,39)(H3,32,33,41)/t25-,26+,27-/m0/s1 | 定義日: | 2021-04-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-(carbamoylamino)-2-oxohexan-3-yl]-L-phenylalaninamide |
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