![7RI 7RI](https://data.pdbj.org/pdbjplus/data/cc/svg/7RI.svg) | 7RI | 表記: | 5-bromanyl-N-methyl-1H-indazole-3-carboxamide | 組成式: | C9 H8 Br N3 O | SMILES: | CNC(=O)c1n[nH]c2ccc(Br)cc12 | InChi: | InChI=1S/C9H8BrN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13) | 別名: | 1H-Indazole-3-carboxamide, 5-bromo-N-methyl- | 定義日: | 2021-08-23 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | 5-bromanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide |
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![7RN 7RN](https://data.pdbj.org/pdbjplus/data/cc/svg/7RN.svg) | 7RN | 表記: | N-methyl-3-(5-methylthiophen-2-yl)-1H-pyrazole-5-carboxamide | 組成式: | C10 H11 N3 O S | SMILES: | CNC(=O)c1cc([nH]n1)c2sc(C)cc2 | InChi: | InChI=1S/C10H11N3OS/c1-6-3-4-9(15-6)7-5-8(13-12-7)10(14)11-2/h3-5H,1-2H3,(H,11,14)(H,12,13) | 定義日: | 2021-08-23 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | ~{N}-methyl-5-(5-methylthiophen-2-yl)-1~{H}-pyrazole-3-carboxamide |
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![7RT 7RT](https://data.pdbj.org/pdbjplus/data/cc/svg/7RT.svg) | 7RT | 表記: | N-methyl-1H-indole-4-carboxamide | 組成式: | C10 H10 N2 O | SMILES: | CNC(=O)c1cccc2[nH]ccc12 | InChi: | InChI=1S/C10H10N2O/c1-11-10(13)8-3-2-4-9-7(8)5-6-12-9/h2-6,12H,1H3,(H,11,13) | 定義日: | 2021-08-23 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | ~{N}-methyl-1~{H}-indole-4-carboxamide |
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![7RX 7RX](https://data.pdbj.org/pdbjplus/data/cc/svg/7RX.svg) | 7RX | 表記: | (R)-homoproline | 組成式: | C6 H11 N O2 | SMILES: | OC(=O)C[CH]1CCCN1 | InChi: | InChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1 | 別名: | 2-[(2R)-pyrrolidin-2-yl]ethanoic acid | 定義日: | 2021-08-24 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | 2-[(2~{R})-pyrrolidin-2-yl]ethanoic acid |
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![7SL 7SL](https://data.pdbj.org/pdbjplus/data/cc/svg/7SL.svg) | 7SL | 表記: | 5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide | 組成式: | C9 H9 N3 O2 | SMILES: | CNC(=O)c1cc([nH]n1)c2occc2 | InChi: | InChI=1S/C9H9N3O2/c1-10-9(13)7-5-6(11-12-7)8-3-2-4-14-8/h2-5H,1H3,(H,10,13)(H,11,12) | 別名: | 5-(Furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide | 定義日: | 2021-08-24 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | 5-(furan-2-yl)-~{N}-methyl-1~{H}-pyrazole-3-carboxamide |
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![H9R H9R](https://data.pdbj.org/pdbjplus/data/cc/svg/H9R.svg) | H9R | 表記: | 2-[3,4-bis(oxidanyl)phenyl]-6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one | 組成式: | C21 H20 O11 | SMILES: | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)cc3OC(=CC(=O)c3c2O)c4ccc(O)c(O)c4 | InChi: | InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1 | 定義日: | 2020-12-11 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | 2-[3,4-bis(oxidanyl)phenyl]-6-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one |
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![HAF HAF](https://data.pdbj.org/pdbjplus/data/cc/svg/HAF.svg) | HAF | 表記: | tert-butyl 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate | 組成式: | C24 H33 N5 O3 | SMILES: | CN1C[CH](C[CH](C1)c2ccccc2)NC3=NC4=C(CN(C4)C(=O)OC(C)(C)C)C(=O)N3C | InChi: | InChI=1S/C24H33N5O3/c1-24(2,3)32-23(31)29-14-19-20(15-29)26-22(28(5)21(19)30)25-18-11-17(12-27(4)13-18)16-9-7-6-8-10-16/h6-10,17-18H,11-15H2,1-5H3,(H,25,26)/t17-,18+/m0/s1 | 定義日: | 2020-12-14 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | ~{tert}-butyl 3-methyl-2-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate |
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![9EI 9EI](https://data.pdbj.org/pdbjplus/data/cc/svg/9EI.svg) | 9EI | 表記: | 5-amino-N-(naphthalen-1-yl)pyridine-3-carboxamide | 組成式: | C16 H13 N3 O | SMILES: | O=C(Nc1cccc2ccccc21)c1cncc(N)c1 | InChi: | InChI=1S/C16H13N3O/c17-13-8-12(9-18-10-13)16(20)19-15-7-3-5-11-4-1-2-6-14(11)15/h1-10H,17H2,(H,19,20) | 定義日: | 2021-10-08 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | 5-amino-N-(naphthalen-1-yl)pyridine-3-carboxamide |
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![T1B T1B](https://data.pdbj.org/pdbjplus/data/cc/svg/T1B.svg) | T1B | 表記: | 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole | 組成式: | C12 H13 N5 | SMILES: | CCc1ccc2[nH]c(nc2c1)c3cnnn3C | InChi: | InChI=1S/C12H13N5/c1-3-8-4-5-9-10(6-8)15-12(14-9)11-7-13-16-17(11)2/h4-7H,3H2,1-2H3,(H,14,15) | 定義日: | 2020-12-10 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole |
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![T1E T1E](https://data.pdbj.org/pdbjplus/data/cc/svg/T1E.svg) | T1E | 表記: | 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2,3-dimethyl-guanidine | 組成式: | C16 H26 N4 O2 | SMILES: | CNC(NC1CCN(CC1)c2cc(OC)cc(OC)c2)=NC | InChi: | InChI=1S/C16H26N4O2/c1-17-16(18-2)19-12-5-7-20(8-6-12)13-9-14(21-3)11-15(10-13)22-4/h9-12H,5-8H2,1-4H3,(H2,17,18,19) | 定義日: | 2020-12-10 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2,3-dimethyl-guanidine |
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![T1H T1H](https://data.pdbj.org/pdbjplus/data/cc/svg/T1H.svg) | T1H | 表記: | 2-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]ethanamide | 組成式: | C21 H30 N10 O | SMILES: | CNC(NC1CCN(CC1)CC(=O)NCc2ccc3[nH]c(nc3c2)c4cnnn4C)=NC | InChi: | InChI=1S/C21H30N10O/c1-22-21(23-2)26-15-6-8-31(9-7-15)13-19(32)24-11-14-4-5-16-17(10-14)28-20(27-16)18-12-25-29-30(18)3/h4-5,10,12,15H,6-9,11,13H2,1-3H3,(H,24,32)(H,27,28)(H2,22,23,26) | 定義日: | 2020-12-10 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | 2-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]ethanamide |
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![T3H T3H](https://data.pdbj.org/pdbjplus/data/cc/svg/T3H.svg) | T3H | 表記: | (2~{S})-1-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]phenyl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide | 組成式: | C25 H30 N10 O | SMILES: | CNC(Nc1ccc(cc1)N2CCC[CH]2C(=O)NCc3ccc4[nH]c(nc4c3)c5cnnn5C)=NC | InChi: | InChI=1S/C25H30N10O/c1-26-25(27-2)30-17-7-9-18(10-8-17)35-12-4-5-21(35)24(36)28-14-16-6-11-19-20(13-16)32-23(31-19)22-15-29-33-34(22)3/h6-11,13,15,21H,4-5,12,14H2,1-3H3,(H,28,36)(H,31,32)(H2,26,27,30)/t21-/m0/s1 | 定義日: | 2020-12-14 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | (2~{S})-1-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]phenyl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide |
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![UDK UDK](https://data.pdbj.org/pdbjplus/data/cc/svg/UDK.svg) | UDK | 表記: | (R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide | 組成式: | C25 H36 N6 O2 | SMILES: | CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(CN4CCC(C)CC4)cc3)C2 | InChi: | InChI=1S/C25H36N6O2/c1-19-8-12-30(13-9-19)15-20-4-6-21(7-5-20)24(32)27-16-25(33)10-3-11-31(17-25)23-14-22(26-2)28-18-29-23/h4-7,14,18-19,33H,3,8-13,15-17H2,1-2H3,(H,27,32)(H,26,28,29)/t25-/m1/s1 | 別名: | ~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide | 定義日: | 2021-02-10 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | ~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide |
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![UDQ UDQ](https://data.pdbj.org/pdbjplus/data/cc/svg/UDQ.svg) | UDQ | 表記: | N-[[(3R)-3-Hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide | 組成式: | C24 H34 N6 O2 | SMILES: | CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(CN4CCCCC4)cc3)C2 | InChi: | InChI=1S/C24H34N6O2/c1-25-21-14-22(28-18-27-21)30-13-5-10-24(32,17-30)16-26-23(31)20-8-6-19(7-9-20)15-29-11-3-2-4-12-29/h6-9,14,18,32H,2-5,10-13,15-17H2,1H3,(H,26,31)(H,25,27,28)/t24-/m1/s1 | 別名: | ~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide | 定義日: | 2021-02-10 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | ~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide |
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![UDW UDW](https://data.pdbj.org/pdbjplus/data/cc/svg/UDW.svg) | UDW | 表記: | (S)-3-(((6-(3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)methyl)benzenesulfonamide | 組成式: | C17 H23 N5 O3 S | SMILES: | N[S](=O)(=O)c1cccc(CNc2cc(ncn2)N3CCC[CH](CO)C3)c1 | InChi: | InChI=1S/C17H23N5O3S/c18-26(24,25)15-5-1-3-13(7-15)9-19-16-8-17(21-12-20-16)22-6-2-4-14(10-22)11-23/h1,3,5,7-8,12,14,23H,2,4,6,9-11H2,(H2,18,24,25)(H,19,20,21)/t14-/m1/s1 | 別名: | 3-[[[6-[(3~{R})-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide | 定義日: | 2021-02-11 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | 3-[[[6-[(3~{R})-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide |
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![UE5 UE5](https://data.pdbj.org/pdbjplus/data/cc/svg/UE5.svg) | UE5 | 表記: | (R)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-((4,4-dimethylpiperidin-1-yl)methyl)benzamide | 組成式: | C32 H42 N6 O2 | SMILES: | CC1(C)CCN(CC1)Cc2ccc(cc2)C(=O)NC[C]3(O)CCCN(C3)c4cc(NCc5ccccc5)ncn4 | InChi: | InChI=1S/C32H42N6O2/c1-31(2)14-17-37(18-15-31)21-26-9-11-27(12-10-26)30(39)34-22-32(40)13-6-16-38(23-32)29-19-28(35-24-36-29)33-20-25-7-4-3-5-8-25/h3-5,7-12,19,24,40H,6,13-18,20-23H2,1-2H3,(H,34,39)(H,33,35,36)/t32-/m1/s1 | 別名: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide | 定義日: | 2021-02-11 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide |
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![UEE UEE](https://data.pdbj.org/pdbjplus/data/cc/svg/UEE.svg) | UEE | 表記: | (R)-4-((2-azaspiro[3.3]heptan-2-yl)methyl)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)benzamide | 組成式: | C31 H38 N6 O2 | SMILES: | O[C]1(CCCN(C1)c2cc(NCc3ccccc3)ncn2)CNC(=O)c4ccc(CN5CC6(CCC6)C5)cc4 | InChi: | InChI=1S/C31H38N6O2/c38-29(26-10-8-25(9-11-26)18-36-20-30(21-36)12-4-13-30)33-19-31(39)14-5-15-37(22-31)28-16-27(34-23-35-28)32-17-24-6-2-1-3-7-24/h1-3,6-11,16,23,39H,4-5,12-15,17-22H2,(H,33,38)(H,32,34,35)/t31-/m1/s1 | 別名: | 4-(2-azaspiro[3.3]heptan-2-ylmethyl)-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide | 定義日: | 2021-02-11 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | 4-(2-azaspiro[3.3]heptan-2-ylmethyl)-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide |
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![UEH UEH](https://data.pdbj.org/pdbjplus/data/cc/svg/UEH.svg) | UEH | 表記: | (R)-4-((4,4-dimethylpiperidin-1-yl)methyl)-2-hydroxy-N-((3-hydroxy-1-(6-((3-(methylcarbamoyl)benzyl)amino)pyrimidin-4-yl)piperidin-3-yl)methyl)benzamide | 組成式: | C34 H45 N7 O4 | SMILES: | CNC(=O)c1cccc(CNc2cc(ncn2)N3CCC[C](O)(CNC(=O)c4ccc(CN5CCC(C)(C)CC5)cc4O)C3)c1 | InChi: | InChI=1S/C34H45N7O4/c1-33(2)11-14-40(15-12-33)20-25-8-9-27(28(42)17-25)32(44)37-21-34(45)10-5-13-41(22-34)30-18-29(38-23-39-30)36-19-24-6-4-7-26(16-24)31(43)35-3/h4,6-9,16-18,23,42,45H,5,10-15,19-22H2,1-3H3,(H,35,43)(H,37,44)(H,36,38,39)/t34-/m1/s1 | 別名: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-[[3-(methylcarbamoyl)phenyl]methylamino]pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide | 定義日: | 2021-02-11 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-[[3-(methylcarbamoyl)phenyl]methylamino]pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide |
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![UEQ UEQ](https://data.pdbj.org/pdbjplus/data/cc/svg/UEQ.svg) | UEQ | 表記: | 4-[[(3R)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3R)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide | 組成式: | C34 H42 N6 O2 | SMILES: | O[C]1(CCCN(C1)c2cc(NCc3ccccc3)ncn2)CNC(=O)c4ccc(CN5CC6(CCC6)[CH]5C7CC7)cc4 | InChi: | InChI=1S/C34H42N6O2/c41-32(28-10-8-26(9-11-28)20-40-22-33(14-4-15-33)31(40)27-12-13-27)36-21-34(42)16-5-17-39(23-34)30-18-29(37-24-38-30)35-19-25-6-2-1-3-7-25/h1-3,6-11,18,24,27,31,42H,4-5,12-17,19-23H2,(H,36,41)(H,35,37,38)/t31-,34-/m1/s1 | 別名: | 4-[[(3~{R})-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide | 定義日: | 2021-02-11 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | 4-[[(3~{R})-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide |
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![UEW UEW](https://data.pdbj.org/pdbjplus/data/cc/svg/UEW.svg) | UEW | 表記: | N-(((R)-1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-(((S)-1-isopropyl-2-azaspiro[3.3]heptan-2-yl)methyl)benzamide | 組成式: | C34 H44 N6 O2 | SMILES: | CC(C)[CH]1N(Cc2ccc(cc2)C(=O)NC[C]3(O)CCCN(C3)c4cc(NCc5ccccc5)ncn4)CC16CCC6 | InChi: | InChI=1S/C34H44N6O2/c1-25(2)31-33(14-6-15-33)22-40(31)20-27-10-12-28(13-11-27)32(41)36-21-34(42)16-7-17-39(23-34)30-18-29(37-24-38-30)35-19-26-8-4-3-5-9-26/h3-5,8-13,18,24-25,31,42H,6-7,14-17,19-23H2,1-2H3,(H,36,41)(H,35,37,38)/t31-,34+/m0/s1 | 別名: | ~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]-4-[[(3~{S})-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide | 定義日: | 2021-02-11 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | ~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]-4-[[(3~{S})-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide |
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![UEZ UEZ](https://data.pdbj.org/pdbjplus/data/cc/svg/UEZ.svg) | UEZ | 表記: | (R)-1-(6-(benzylamino)pyrimidin-4-yl)-3-(((6-((4,4-dimethylpiperidin-1-yl)methyl)naphthalen-1-yl)amino)methyl)piperidin-3-ol | 組成式: | C35 H44 N6 O | SMILES: | CC1(C)CCN(CC1)Cc2ccc3c(NC[C]4(O)CCCN(C4)c5cc(NCc6ccccc6)ncn5)cccc3c2 | InChi: | InChI=1S/C35H44N6O/c1-34(2)15-18-40(19-16-34)23-28-12-13-30-29(20-28)10-6-11-31(30)37-24-35(42)14-7-17-41(25-35)33-21-32(38-26-39-33)36-22-27-8-4-3-5-9-27/h3-6,8-13,20-21,26,37,42H,7,14-19,22-25H2,1-2H3,(H,36,38,39)/t35-/m1/s1 | 別名: | (3~{R})-3-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]naphthalen-1-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol | 定義日: | 2021-02-11 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | (3~{R})-3-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]naphthalen-1-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol |
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![6IK 6IK](https://data.pdbj.org/pdbjplus/data/cc/svg/6IK.svg) | 6IK | 表記: | 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3S)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide | 組成式: | C34 H42 N6 O2 | SMILES: | O[C]1(CCCN(C1)c2cc(NCc3ccccc3)ncn2)CNC(=O)c4ccc(CN5CC6(CCC6)[CH]5C7CC7)cc4 | InChi: | InChI=1S/C34H42N6O2/c41-32(28-10-8-26(9-11-28)20-40-22-33(14-4-15-33)31(40)27-12-13-27)36-21-34(42)16-5-17-39(23-34)30-18-29(37-24-38-30)35-19-25-6-2-1-3-7-25/h1-3,6-11,18,24,27,31,42H,4-5,12-17,19-23H2,(H,36,41)(H,35,37,38)/t31-,34-/m0/s1 | 定義日: | 2021-07-28 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | 4-[[(3~{S})-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-~{N}-[[(3~{S})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide |
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![V9T V9T](https://data.pdbj.org/pdbjplus/data/cc/svg/V9T.svg) | V9T | 表記: | 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3R)-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide | 組成式: | C28 H38 N6 O3 | SMILES: | CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(CN4CC5(CCC5)[CH]4C6CC6)cc3O)C2 | InChi: | InChI=1S/C28H38N6O3/c1-29-23-13-24(32-18-31-23)33-11-3-10-28(37,17-33)15-30-26(36)21-7-4-19(12-22(21)35)14-34-16-27(8-2-9-27)25(34)20-5-6-20/h4,7,12-13,18,20,25,35,37H,2-3,5-6,8-11,14-17H2,1H3,(H,30,36)(H,29,31,32)/t25-,28+/m0/s1 | 定義日: | 2021-05-03 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | 4-[[(3~{S})-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide |
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![V9W V9W](https://data.pdbj.org/pdbjplus/data/cc/svg/V9W.svg) | V9W | 表記: | (3~{R})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{H}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol | 組成式: | C32 H41 N7 O | SMILES: | CC1(C)CCN(CC1)Cc2ccc3[nH]c(C[C]4(O)CCCN(C4)c5cc(NCc6ccccc6)ncn5)nc3c2 | InChi: | InChI=1S/C32H41N7O/c1-31(2)12-15-38(16-13-31)21-25-9-10-26-27(17-25)37-29(36-26)19-32(40)11-6-14-39(22-32)30-18-28(34-23-35-30)33-20-24-7-4-3-5-8-24/h3-5,7-10,17-18,23,40H,6,11-16,19-22H2,1-2H3,(H,36,37)(H,33,34,35)/t32-/m1/s1 | 定義日: | 2021-05-03 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | (3~{R})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{H}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol |
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![VA8 VA8](https://data.pdbj.org/pdbjplus/data/cc/svg/VA8.svg) | VA8 | 表記: | ~{N}-[[(3~{R})-1-[6-(3~{H}-benzimidazol-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4,4-dimethylpiperidin-1-yl)methyl]benzamide | 組成式: | C33 H42 N8 O2 | SMILES: | CC1(C)CCN(CC1)Cc2ccc(cc2)C(=O)NC[C]3(O)CCCN(C3)c4cc(NCc5cccc6nc[nH]c56)ncn4 | InChi: | InChI=1S/C33H42N8O2/c1-32(2)12-15-40(16-13-32)19-24-7-9-25(10-8-24)31(42)35-20-33(43)11-4-14-41(21-33)29-17-28(37-23-38-29)34-18-26-5-3-6-27-30(26)39-22-36-27/h3,5-10,17,22-23,43H,4,11-16,18-21H2,1-2H3,(H,35,42)(H,36,39)(H,34,37,38)/t33-/m1/s1 | 定義日: | 2021-05-04 | 最終更新日: | 2021-10-15 | 公開日: | 2021-10-20 | 識別子(ID): | ~{N}-[[(3~{R})-1-[6-(3~{H}-benzimidazol-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4,4-dimethylpiperidin-1-yl)methyl]benzamide |
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