![K0W K0W](https://data.pdbj.org/pdbjplus/data/cc/svg/K0W.svg) | K0W | 表記: | [(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[oxidanyl(phosphonooxy)phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] phosphono hydrogen phosphate | 組成式: | C6 H20 O30 P8 | SMILES: | O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH]1O[P](O)(O)=O | InChi: | InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)4(32-40(16,17)18)6(34-44(27,28)36-42(22,23)24)5(3(1)31-39(13,14)15)33-43(25,26)35-41(19,20)21/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3+,4+,5-,6+/m0/s1 | 定義日: | 2019-04-13 | 最終更新日: | 2019-08-30 | 公開日: | 2019-09-04 | 識別子(ID): | [(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[oxidanyl(phosphonooxy)phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] phosphono hydrogen phosphate |
|
![K3Z K3Z](https://data.pdbj.org/pdbjplus/data/cc/svg/K3Z.svg) | K3Z | 表記: | (E)-3-(4-methoxyphenyl)acrylic acid | 組成式: | C10 H10 O3 | SMILES: | COc1ccc(C=CC(O)=O)cc1 | InChi: | InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+ | 定義日: | 2019-04-17 | 最終更新日: | 2019-08-30 | 公開日: | 2019-09-04 | 識別子(ID): | (~{E})-3-(4-methoxyphenyl)prop-2-enoic acid |
|
![K4J K4J](https://data.pdbj.org/pdbjplus/data/cc/svg/K4J.svg) | K4J | 表記: | (4-{(4S)-3-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-2-oxo-1,3-oxazolidin-4-yl}-2-fluorophenyl)boronic acid | 組成式: | C28 H23 B F2 N2 O6 | SMILES: | C(c5c4c(cc(N1C(COC1=O)c2cc(F)c(cc2)B(O)O)c(C3CC3)c4)oc5c6ccc(cc6)F)(NC)=O | InChi: | InChI=1S/C28H23BF2N2O6/c1-32-27(34)25-19-11-18(14-2-3-14)22(12-24(19)39-26(25)15-4-7-17(30)8-5-15)33-23(13-38-28(33)35)16-6-9-20(29(36)37)21(31)10-16/h4-12,14,23,36-37H,2-3,13H2,1H3,(H,32,34)/t23-/m1/s1 | 定義日: | 2018-10-29 | 最終更新日: | 2019-08-30 | 公開日: | 2019-09-04 | 識別子(ID): | (4-{(4S)-3-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-2-oxo-1,3-oxazolidin-4-yl}-2-fluorophenyl)boronic acid |
|
![K4M K4M](https://data.pdbj.org/pdbjplus/data/cc/svg/K4M.svg) | K4M | 表記: | (4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1H-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid | 組成式: | C27 H21 B F2 N4 O4 | SMILES: | c6(cc(c1n(ncn1)c5cc3c(c(c(c2ccc(cc2)F)o3)C(NC)=O)cc5C4CC4)ccc6B(O)O)F | InChi: | InChI=1S/C27H21BF2N4O4/c1-31-27(35)24-19-11-18(14-2-3-14)22(12-23(19)38-25(24)15-4-7-17(29)8-5-15)34-26(32-13-33-34)16-6-9-20(28(36)37)21(30)10-16/h4-14,36-37H,2-3H2,1H3,(H,31,35) | 定義日: | 2018-10-29 | 最終更新日: | 2019-08-30 | 公開日: | 2019-09-04 | 識別子(ID): | (4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1H-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid |
|
![K4P K4P](https://data.pdbj.org/pdbjplus/data/cc/svg/K4P.svg) | K4P | 表記: | 6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide | 組成式: | C27 H23 B Cl F N2 O6 S | SMILES: | CNC(=O)c4c(c1ccc(cc1)F)oc5cc(N(c3cc2COB(c2c(Cl)c3)O)S(C)(=O)=O)c(cc45)C6CC6 | InChi: | InChI=1S/C27H23BClFN2O6S/c1-31-27(33)24-20-11-19(14-3-4-14)22(12-23(20)38-26(24)15-5-7-17(30)8-6-15)32(39(2,35)36)18-9-16-13-37-28(34)25(16)21(29)10-18/h5-12,14,34H,3-4,13H2,1-2H3,(H,31,33) | 定義日: | 2018-10-29 | 最終更新日: | 2019-08-30 | 公開日: | 2019-09-04 | 識別子(ID): | 6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide |
|
![K4S K4S](https://data.pdbj.org/pdbjplus/data/cc/svg/K4S.svg) | K4S | 表記: | (4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid | 組成式: | C26 H24 B F N2 O6 S | SMILES: | CNC(c1c4c(oc1c2ccc(cc2)F)cc(N(S(=O)(C)=O)c3ccc(cc3)B(O)O)c(c4)C5CC5)=O | InChi: | InChI=1S/C26H24BFN2O6S/c1-29-26(31)24-21-13-20(15-3-4-15)22(14-23(21)36-25(24)16-5-9-18(28)10-6-16)30(37(2,34)35)19-11-7-17(8-12-19)27(32)33/h5-15,32-33H,3-4H2,1-2H3,(H,29,31) | 定義日: | 2018-10-29 | 最終更新日: | 2019-08-30 | 公開日: | 2019-09-04 | 識別子(ID): | (4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid |
|
![K81 K81](https://data.pdbj.org/pdbjplus/data/cc/svg/K81.svg) | K81 | 表記: | N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide | 組成式: | C25 H25 F3 N4 O4 | SMILES: | c1(nc(OCCO)cc(c1)c2c(ccc(c2)NC(c3ccnc(c3)C(F)(F)F)=O)C)N4CCOCC4 | InChi: | InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34) | 定義日: | 2018-11-08 | 最終更新日: | 2019-08-30 | 公開日: | 2019-09-04 | 識別子(ID): | N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide |
|
![JC4 JC4](https://data.pdbj.org/pdbjplus/data/cc/svg/JC4.svg) | JC4 | 表記: | 2'-(beta-D-galactopyranosyloxy)-5-nitro[1,1'-biphenyl]-3-carboxylic acid | 組成式: | C19 H19 N O10 | SMILES: | c3cc(c1cc([N+](=O)[O-])cc(C(O)=O)c1)c(OC2OC(CO)C(C(C2O)O)O)cc3 | InChi: | InChI=1S/C19H19NO10/c21-8-14-15(22)16(23)17(24)19(30-14)29-13-4-2-1-3-12(13)9-5-10(18(25)26)7-11(6-9)20(27)28/h1-7,14-17,19,21-24H,8H2,(H,25,26)/t14-,15+,16+,17-,19-/m1/s1 | 定義日: | 2018-08-29 | 最終更新日: | 2019-08-30 | 公開日: | 2019-09-04 | 識別子(ID): | 2'-(beta-D-galactopyranosyloxy)-5-nitro[1,1'-biphenyl]-3-carboxylic acid |
|
![JC7 JC7](https://data.pdbj.org/pdbjplus/data/cc/svg/JC7.svg) | JC7 | 表記: | N-[2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}-6'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]methanesulfonamide | 組成式: | C22 H25 F3 N2 O8 S | SMILES: | c3ccc(OC1C(NC(C)=O)C(O)C(C(CO)O1)O)c(c2cc(NS(=O)(=O)C)ccc2)c3C(F)(F)F | InChi: | InChI=1S/C22H25F3N2O8S/c1-11(29)26-18-20(31)19(30)16(10-28)35-21(18)34-15-8-4-7-14(22(23,24)25)17(15)12-5-3-6-13(9-12)27-36(2,32)33/h3-9,16,18-21,27-28,30-31H,10H2,1-2H3,(H,26,29)/t16-,18-,19+,20-,21-/m1/s1 | 定義日: | 2018-08-29 | 最終更新日: | 2019-08-30 | 公開日: | 2019-09-04 | 識別子(ID): | N-[2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}-6'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]methanesulfonamide |
|
![JCD JCD](https://data.pdbj.org/pdbjplus/data/cc/svg/JCD.svg) | JCD | 表記: | 2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}-5-nitro[1,1'-biphenyl]-3-carboxylic acid | 組成式: | C21 H22 N2 O10 | SMILES: | [N+](=O)(c1cc(cc(c1)c3c(OC2C(NC(C)=O)C(O)C(C(CO)O2)O)cccc3)C(O)=O)[O-] | InChi: | InChI=1S/C21H22N2O10/c1-10(25)22-17-19(27)18(26)16(9-24)33-21(17)32-15-5-3-2-4-14(15)11-6-12(20(28)29)8-13(7-11)23(30)31/h2-8,16-19,21,24,26-27H,9H2,1H3,(H,22,25)(H,28,29)/t16-,17-,18+,19-,21-/m1/s1 | 定義日: | 2018-08-29 | 最終更新日: | 2019-08-30 | 公開日: | 2019-09-04 | 識別子(ID): | 2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}-5-nitro[1,1'-biphenyl]-3-carboxylic acid |
|
![JLW JLW](https://data.pdbj.org/pdbjplus/data/cc/svg/JLW.svg) | JLW | 表記: | 3-[[4-[[(1~{R})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{N},~{N},6-trimethyl-2-oxidanyl-benzamide | 組成式: | C22 H29 N5 O5 S | SMILES: | CN(C)C(=O)c1c(C)ccc(NC2=N[S](=O)(=O)N=C2N[CH](c3oc(C)cc3)C(C)(C)C)c1O | InChi: | InChI=1S/C22H29N5O5S/c1-12-8-10-14(17(28)16(12)21(29)27(6)7)23-19-20(26-33(30,31)25-19)24-18(22(3,4)5)15-11-9-13(2)32-15/h8-11,18,28H,1-7H3,(H,23,25)(H,24,26)/t18-/m0/s1 | 定義日: | 2019-03-11 | 最終更新日: | 2019-08-30 | 公開日: | 2019-09-04 | 識別子(ID): | 3-[[4-[[(1~{R})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{N},~{N},6-trimethyl-2-oxidanyl-benzamide |
|
![OOD OOD](https://data.pdbj.org/pdbjplus/data/cc/svg/OOD.svg) | OOD | 表記: | 2-[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(1H-tetrazol-1-yl)benzoate | 組成式: | C23 H23 N7 O3 | SMILES: | C(=O)(OCC(Nc1n(nc(C(C)(C)C)c1)c2ccccc2)=O)c3ccc(cc3)n4cnnn4 | InChi: | InChI=1S/C23H23N7O3/c1-23(2,3)19-13-20(30(26-19)18-7-5-4-6-8-18)25-21(31)14-33-22(32)16-9-11-17(12-10-16)29-15-24-27-28-29/h4-13,15H,14H2,1-3H3,(H,25,31) | 定義日: | 2019-07-02 | 最終更新日: | 2019-08-30 | 公開日: | 2019-09-04 | 識別子(ID): | 2-[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(1H-tetrazol-1-yl)benzoate |
|
![OOM OOM](https://data.pdbj.org/pdbjplus/data/cc/svg/OOM.svg) | OOM | 表記: | N-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-2-{[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide | 組成式: | C22 H23 N7 O2 S | SMILES: | CC(C)(C)c1nn(c(c1)NC(CSc3nnnn3c2ccc(cc2)O)=O)c4ccccc4 | InChi: | InChI=1S/C22H23N7O2S/c1-22(2,3)18-13-19(28(25-18)15-7-5-4-6-8-15)23-20(31)14-32-21-24-26-27-29(21)16-9-11-17(30)12-10-16/h4-13,30H,14H2,1-3H3,(H,23,31) | 定義日: | 2019-07-02 | 最終更新日: | 2019-08-30 | 公開日: | 2019-09-04 | 識別子(ID): | N-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-2-{[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide |
|
![FZ5 FZ5](https://data.pdbj.org/pdbjplus/data/cc/svg/FZ5.svg) | FZ5 | 表記: | Scorzodihydrostilbene A | 組成式: | C23 H28 O10 | SMILES: | COc1cc(CCc2c(O)ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)c2C(C)=O)ccc1O | InChi: | InChI=1S/C23H28O10/c1-11(25)19-13(5-3-12-4-6-15(27)17(9-12)31-2)14(26)7-8-16(19)32-23-22(30)21(29)20(28)18(10-24)33-23/h4,6-9,18,20-24,26-30H,3,5,10H2,1-2H3/t18-,20-,21+,22-,23-/m1/s1 | 定義日: | 2018-08-19 | 最終更新日: | 2019-08-23 | 公開日: | 2019-08-28 | 識別子(ID): | 1-[6-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-3-oxidanyl-phenyl]ethanone |
|
![FZW FZW](https://data.pdbj.org/pdbjplus/data/cc/svg/FZW.svg) | FZW | 表記: | 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide | 組成式: | C28 H20 F3 N7 O | SMILES: | Cc1ccc(cc1Nc2nc(nc(n2)c3cccnc3)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F | InChi: | InChI=1S/C28H20F3N7O/c1-17-9-10-18(26(39)34-22-8-2-7-21(14-22)28(29,30)31)13-23(17)35-27-37-24(19-5-3-11-32-15-19)36-25(38-27)20-6-4-12-33-16-20/h2-16H,1H3,(H,34,39)(H,35,36,37,38) | 定義日: | 2018-08-20 | 最終更新日: | 2019-08-23 | 公開日: | 2019-08-28 | 識別子(ID): | 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide |
|
![G02 G02](https://data.pdbj.org/pdbjplus/data/cc/svg/G02.svg) | G02 | 表記: | 4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide | 組成式: | C25 H19 F3 N8 O | SMILES: | Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cccc(c4)C(F)(F)F)nc(nc12)c5cnccn5 | InChi: | InChI=1S/C25H19F3N8O/c1-14-6-7-15(24(37)32-17-5-3-4-16(11-17)25(26,27)28)10-19(14)33-21-18-12-31-36(2)23(18)35-22(34-21)20-13-29-8-9-30-20/h3-13H,1-2H3,(H,32,37)(H,33,34,35) | 定義日: | 2018-08-20 | 最終更新日: | 2019-08-23 | 公開日: | 2019-08-28 | 識別子(ID): | 4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide |
|
![G0E G0E](https://data.pdbj.org/pdbjplus/data/cc/svg/G0E.svg) | G0E | 表記: | 4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide | 組成式: | C25 H19 F3 N8 O | SMILES: | Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cccc(c4)C(F)(F)F)nc(nc12)c5cncnc5 | InChi: | InChI=1S/C25H19F3N8O/c1-14-6-7-15(24(37)32-18-5-3-4-17(9-18)25(26,27)28)8-20(14)33-22-19-12-31-36(2)23(19)35-21(34-22)16-10-29-13-30-11-16/h3-13H,1-2H3,(H,32,37)(H,33,34,35) | 定義日: | 2018-08-20 | 最終更新日: | 2019-08-23 | 公開日: | 2019-08-28 | 識別子(ID): | 4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide |
|
![G0H G0H](https://data.pdbj.org/pdbjplus/data/cc/svg/G0H.svg) | G0H | 表記: | 4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide | 組成式: | C28 H20 F3 N5 O | SMILES: | Cc1ccc(cc1Nc2nc(nc3ccccc23)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F | InChi: | InChI=1S/C28H20F3N5O/c1-17-11-12-18(27(37)33-21-8-4-7-20(15-21)28(29,30)31)14-24(17)35-26-22-9-2-3-10-23(22)34-25(36-26)19-6-5-13-32-16-19/h2-16H,1H3,(H,33,37)(H,34,35,36) | 定義日: | 2018-08-21 | 最終更新日: | 2019-08-23 | 公開日: | 2019-08-28 | 識別子(ID): | 4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide |
|
![G0K G0K](https://data.pdbj.org/pdbjplus/data/cc/svg/G0K.svg) | G0K | 表記: | 4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide | 組成式: | C27 H19 F3 N6 O | SMILES: | Cc1ccc(cc1Nc2nc(nc3ncccc23)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F | InChi: | InChI=1S/C27H19F3N6O/c1-16-9-10-17(26(37)33-20-7-2-6-19(14-20)27(28,29)30)13-22(16)34-25-21-8-4-12-32-24(21)35-23(36-25)18-5-3-11-31-15-18/h2-15H,1H3,(H,33,37)(H,32,34,35,36) | 定義日: | 2018-08-21 | 最終更新日: | 2019-08-23 | 公開日: | 2019-08-28 | 識別子(ID): | 4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide |
|
![G0N G0N](https://data.pdbj.org/pdbjplus/data/cc/svg/G0N.svg) | G0N | 表記: | 3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide | 組成式: | C28 H20 F3 N7 O | SMILES: | Cc1ccc(cc1Nc2nc(nc(n2)c3ccncc3)c4ccncc4)C(=O)Nc5cccc(c5)C(F)(F)F | InChi: | InChI=1S/C28H20F3N7O/c1-17-5-6-20(26(39)34-22-4-2-3-21(16-22)28(29,30)31)15-23(17)35-27-37-24(18-7-11-32-12-8-18)36-25(38-27)19-9-13-33-14-10-19/h2-16H,1H3,(H,34,39)(H,35,36,37,38) | 定義日: | 2018-08-21 | 最終更新日: | 2019-08-23 | 公開日: | 2019-08-28 | 識別子(ID): | 3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide |
|
![G0Q G0Q](https://data.pdbj.org/pdbjplus/data/cc/svg/G0Q.svg) | G0Q | 表記: | ~{N}-(3-chlorophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | 組成式: | C25 H20 Cl N7 O | SMILES: | Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cccc(Cl)c4)nc(nc12)c5cccnc5 | InChi: | InChI=1S/C25H20ClN7O/c1-15-8-9-16(25(34)29-19-7-3-6-18(26)12-19)11-21(15)30-23-20-14-28-33(2)24(20)32-22(31-23)17-5-4-10-27-13-17/h3-14H,1-2H3,(H,29,34)(H,30,31,32) | 定義日: | 2018-08-21 | 最終更新日: | 2019-08-23 | 公開日: | 2019-08-28 | 識別子(ID): | ~{N}-(3-chlorophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide |
|
![B9X B9X](https://data.pdbj.org/pdbjplus/data/cc/svg/B9X.svg) | B9X | 表記: | [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] 3-(2-ethoxyethoxy)propanoate | 組成式: | C17 H26 N5 O9 P | SMILES: | CCOCCOCCC(=O)O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C17H26N5O9P/c1-2-27-5-6-28-4-3-14(23)31-11-7-13(30-12(11)8-29-32(24,25)26)22-10-21-15-16(18)19-9-20-17(15)22/h9-13H,2-8H2,1H3,(H2,18,19,20)(H2,24,25,26)/t11-,12+,13+/m0/s1 | 定義日: | 2019-03-14 | 最終更新日: | 2019-08-23 | 公開日: | 2019-08-28 | 識別子(ID): | [(2~{R},3~{S},5~{R})-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] 3-(2-ethoxyethoxy)propanoate |
|
![C6R C6R](https://data.pdbj.org/pdbjplus/data/cc/svg/C6R.svg) | C6R | 表記: | N-[3-[(4S,5R)-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide | 組成式: | C23 H21 F2 N5 O2 S | SMILES: | C[C]1(N=C(N)SC[CH]1c2ccccc2)c3cc(NC(=O)c4cnc(OCF)cn4)ccc3F | InChi: | InChI=1S/C23H21F2N5O2S/c1-23(17(12-33-22(26)30-23)14-5-3-2-4-6-14)16-9-15(7-8-18(16)25)29-21(31)19-10-28-20(11-27-19)32-13-24/h2-11,17H,12-13H2,1H3,(H2,26,30)(H,29,31)/t17-,23-/m1/s1 | 定義日: | 2019-04-11 | 最終更新日: | 2019-08-23 | 公開日: | 2019-08-28 | 識別子(ID): | ~{N}-[3-[(4~{S},5~{R})-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide |
|
![C6U C6U](https://data.pdbj.org/pdbjplus/data/cc/svg/C6U.svg) | C6U | 表記: | N-[3-[(4S)-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carboxamide | 組成式: | C17 H16 Cl F N4 O S | SMILES: | C[C]1(CCSC(=N1)N)c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F | InChi: | InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 | 定義日: | 2019-04-11 | 最終更新日: | 2019-08-23 | 公開日: | 2019-08-28 | 識別子(ID): | ~{N}-[3-[(4~{S})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carboxamide |
|
![C7O C7O](https://data.pdbj.org/pdbjplus/data/cc/svg/C7O.svg) | C7O | 表記: | N-[3-[(5R)-3-azanyl-5-methyl-9,9-bis(oxidanylidene)-2,9$l^{6}-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide | 組成式: | C21 H23 F2 N5 O4 S2 | SMILES: | C[C]1(N=C(N)SCC12CC[S](=O)(=O)CC2)c3cc(NC(=O)c4cnc(OCF)cn4)ccc3F | InChi: | InChI=1S/C21H23F2N5O4S2/c1-20(21(11-33-19(24)28-20)4-6-34(30,31)7-5-21)14-8-13(2-3-15(14)23)27-18(29)16-9-26-17(10-25-16)32-12-22/h2-3,8-10H,4-7,11-12H2,1H3,(H2,24,28)(H,27,29)/t20-/m1/s1 | 定義日: | 2019-04-12 | 最終更新日: | 2019-08-23 | 公開日: | 2019-08-28 | 識別子(ID): | ~{N}-[3-[(5~{R})-3-azanyl-5-methyl-9,9-bis(oxidanylidene)-2,9$l^{6}-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide |
|