![WU6 WU6](https://data.pdbj.org/pdbjplus/data/cc/svg/WU6.svg) | WU6 | 表記: | methyl 3-{[(1P)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl]amino}-4-{[(3S)-hexan-3-yl]oxy}benzoate | 組成式: | C26 H32 N4 O6 | SMILES: | O=C(OC)c1cc(NC(=O)c2nnn(c3cc(ccc3OC)OC)c2C)c(OC(CC)CCC)cc1 | InChi: | InChI=1S/C26H32N4O6/c1-7-9-18(8-2)36-22-12-10-17(26(32)35-6)14-20(22)27-25(31)24-16(3)30(29-28-24)21-15-19(33-4)11-13-23(21)34-5/h10-15,18H,7-9H2,1-6H3,(H,27,31)/t18-/m0/s1 | 定義日: | 2023-05-18 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | methyl 3-{[(1P)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl]amino}-4-{[(3S)-hexan-3-yl]oxy}benzoate |
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![WV2 WV2](https://data.pdbj.org/pdbjplus/data/cc/svg/WV2.svg) | WV2 | 表記: | mitapivat | 組成式: | C24 H26 N4 O3 S | SMILES: | O=S(=O)(Nc1ccc(cc1)C(=O)N1CCN(CC2CC2)CC1)c1cccc2cccnc21 | InChi: | InChI=1S/C24H26N4O3S/c29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22/h1-5,8-12,18,26H,6-7,13-17H2 | 別名: | N-{4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl}quinoline-8-sulfonamide | 定義日: | 2023-05-19 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | N-{4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl}quinoline-8-sulfonamide |
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![WXC WXC](https://data.pdbj.org/pdbjplus/data/cc/svg/WXC.svg) | WXC | 表記: | 2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one | 組成式: | C8 H9 N3 O | SMILES: | Nc1ncc2C(=O)CCCc2n1 | InChi: | InChI=1S/C8H9N3O/c9-8-10-4-5-6(11-8)2-1-3-7(5)12/h4H,1-3H2,(H2,9,10,11) | 定義日: | 2023-05-22 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | 2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one |
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![XEK XEK](https://data.pdbj.org/pdbjplus/data/cc/svg/XEK.svg) | XEK | 表記: | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione | 組成式: | C28 H19 Cl2 F N4 O4 | SMILES: | O=C1NC(=O)N(C)C=C1C=1C=C(c2cc(OCc3ccccc3Cl)c(F)c(Cl)c2)C(=O)N(C=1)c1cccnc1 | InChi: | InChI=1S/C28H19Cl2FN4O4/c1-34-14-21(26(36)33-28(34)38)18-9-20(27(37)35(13-18)19-6-4-8-32-12-19)17-10-23(30)25(31)24(11-17)39-15-16-5-2-3-7-22(16)29/h2-14H,15H2,1H3,(H,33,36,38) | 定義日: | 2023-10-31 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione |
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![ZY9 ZY9](https://data.pdbj.org/pdbjplus/data/cc/svg/ZY9.svg) | ZY9 | 表記: | 6-(aminomethyl)pyridine-2-carboxylic acid | 組成式: | C7 H8 N2 O2 | SMILES: | NCc1cccc(n1)C(O)=O | InChi: | InChI=1S/C7H8N2O2/c8-4-5-2-1-3-6(9-5)7(10)11/h1-3H,4,8H2,(H,10,11) | 定義日: | 2018-10-24 | 最終更新日: | 2024-05-09 | 公開日: | 2019-09-18 | 識別子(ID): | 6-(aminomethyl)pyridine-2-carboxylic acid |
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![QUK QUK](https://data.pdbj.org/pdbjplus/data/cc/svg/QUK.svg) | QUK | 表記: | 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid | 組成式: | C13 H15 N3 O3 | SMILES: | NCCCOc1cc(nc2c(N)cccc12)C(O)=O | InChi: | InChI=1S/C13H15N3O3/c14-5-2-6-19-11-7-10(13(17)18)16-12-8(11)3-1-4-9(12)15/h1,3-4,7H,2,5-6,14-15H2,(H,17,18) | 定義日: | 2016-05-24 | 最終更新日: | 2024-05-09 | 公開日: | 2017-03-01 | 識別子(ID): | 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid |
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![ZNA ZNA](https://data.pdbj.org/pdbjplus/data/cc/svg/ZNA.svg) | ZNA | 表記: | [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | 組成式: | C21 H28 N7 O13 P2 S | SMILES: | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2SC([n+]3cc(ccc3)C(N)=O)C(O)C2O)C(O)C1O | InChi: | InChI=1S/C21H27N7O13P2S/c22-17-12-19(25-7-24-17)28(8-26-12)20-15(31)13(29)10(40-20)5-38-42(34,35)41-43(36,37)39-6-11-14(30)16(32)21(44-11)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | 定義日: | 2018-08-15 | 最終更新日: | 2024-05-08 | 公開日: | 2018-11-21 | 識別子(ID): | 1-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxythiolan-2-yl]-3-carbamoylpyridin-1-ium (non-preferred name) |
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![8L5 8L5](https://data.pdbj.org/pdbjplus/data/cc/svg/8L5.svg) | 8L5 | 表記: | N-(aminomethyl)-N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucinamide | 組成式: | C16 H27 N4 O5 P | SMILES: | NCNC(=O)C(CC(C)C)NP(=O)(O)CNC(=O)OCc1ccccc1 | InChi: | InChI=1S/C16H27N4O5P/c1-12(2)8-14(15(21)18-10-17)20-26(23,24)11-19-16(22)25-9-13-6-4-3-5-7-13/h3-7,12,14H,8-11,17H2,1-2H3,(H,18,21)(H,19,22)(H2,20,23,24)/t14-/m0/s1 | 定義日: | 2017-02-09 | 最終更新日: | 2024-05-08 | 公開日: | 2017-06-21 | 識別子(ID): | N-(aminomethyl)-N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucinamide |
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![1G1 1G1](https://data.pdbj.org/pdbjplus/data/cc/svg/1G1.svg) | 1G1 | 表記: | N3Phe-Leu-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form | 組成式: | C33 H49 N7 O5 S | SMILES: | NCc1ccc(CC(CCS(C)(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)/N=[N+]=[N-])cc1 | InChi: | InChI=1S/C33H49N7O5S/c1-22(2)17-28(31(41)36-27(15-16-46(5,44)45)19-25-11-13-26(21-34)14-12-25)37-32(42)29(18-23(3)4)38-33(43)30(39-40-35)20-24-9-7-6-8-10-24/h6-14,22-23,27-30H,15-21,34H2,1-5H3,(H,36,41)(H,37,42)(H,38,43)/t27-,28+,29+,30+/m1/s1 | 定義日: | 2013-01-22 | 最終更新日: | 2024-05-08 | 公開日: | 2013-01-25 | 識別子(ID): | N-[(2S)-2-azido-3-phenylpropanoyl]-L-leucyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methanesulfonyl)butan-2-yl]-L-leucinamide |
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![1G6 1G6](https://data.pdbj.org/pdbjplus/data/cc/svg/1G6.svg) | 1G6 | 表記: | N3Phe-Phe(4-NH2CH2)-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form | 組成式: | C37 H50 N8 O5 S | SMILES: | NCc1ccc(CC(CCS(C)(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccc(CN)cc2)NC(=O)C(Cc2ccccc2)N=[N+]=[N-])cc1 | InChi: | InChI=1S/C37H50N8O5S/c1-25(2)19-32(35(46)41-31(17-18-51(3,49)50)20-27-9-13-29(23-38)14-10-27)42-36(47)33(21-28-11-15-30(24-39)16-12-28)43-37(48)34(44-45-40)22-26-7-5-4-6-8-26/h4-16,25,31-34H,17-24,38-39H2,1-3H3,(H,41,46)(H,42,47)(H,43,48)/t31-,32+,33-,34+/m1/s1 | 定義日: | 2013-01-22 | 最終更新日: | 2024-05-08 | 公開日: | 2013-01-25 | 識別子(ID): | 4-(aminomethyl)-N-[(2S)-2-azido-3-phenylpropanoyl]-D-phenylalanyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methanesulfonyl)butan-2-yl]-L-leucinamide |
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![EJA EJA](https://data.pdbj.org/pdbjplus/data/cc/svg/EJA.svg) | EJA | 表記: | S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine | 組成式: | C6 H10 N2 O5 S | SMILES: | NC(CSC(=N/O)CC(O)=O)C(O)=O | InChi: | InChI=1S/C6H10N2O5S/c7-3(6(11)12)2-14-4(8-13)1-5(9)10/h3,13H,1-2,7H2,(H,9,10)(H,11,12)/b8-4-/t3-/m0/s1 | 定義日: | 2018-01-12 | 最終更新日: | 2024-05-08 | 公開日: | 2018-06-06 | 識別子(ID): | S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine |
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![QOJ QOJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QOJ.svg) | QOJ | 表記: | 4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium) | 組成式: | C34 H44 N4 | SMILES: | Nc1c2ccccc2[n+](CCCCCCCCCC[n+]2c3ccccc3c(N)c3CCCc23)c2CCCc12 | InChi: | InChI=1S/C34H42N4/c35-33-25-15-7-9-19-29(25)37(31-21-13-17-27(31)33)23-11-5-3-1-2-4-6-12-24-38-30-20-10-8-16-26(30)34(36)28-18-14-22-32(28)38/h7-10,15-16,19-20,35-36H,1-6,11-14,17-18,21-24H2/p+2 | 定義日: | 2019-12-03 | 最終更新日: | 2024-05-08 | 公開日: | 2020-04-01 | 識別子(ID): | 4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium) |
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![9OR 9OR](https://data.pdbj.org/pdbjplus/data/cc/svg/9OR.svg) | 9OR | 表記: | 3-[7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2S,3S,4R)-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1H-benzo[g]pteridin-5-yl]-3-oxidanylidene-propanoic acid | 組成式: | C20 H25 N4 O12 P | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)CN1C=2NC(=O)NC(=O)C=2N(c2cc(C)c(C)cc21)C(=O)CC(=O)O | InChi: | InChI=1S/C20H25N4O12P/c1-8-3-10-11(4-9(8)2)24(14(27)5-15(28)29)16-18(21-20(32)22-19(16)31)23(10)6-12(25)17(30)13(26)7-36-37(33,34)35/h3-4,12-13,17,25-26,30H,5-7H2,1-2H3,(H,28,29)(H2,33,34,35)(H2,21,22,31,32)/t12-,13+,17-/m0/s1 | 定義日: | 2018-06-15 | 最終更新日: | 2024-05-08 | 公開日: | 2019-06-19 | 識別子(ID): | 1-[5-(carboxyacetyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol |
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![3GE 3GE](https://data.pdbj.org/pdbjplus/data/cc/svg/3GE.svg) | 3GE | 表記: | N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine | 組成式: | C9 H15 N O6 S | SMILES: | O=S(O)C(C)(C)C(NC=C(/CO)C=O)C(=O)O | InChi: | InChI=1S/C9H15NO6S/c1-9(2,17(15)16)7(8(13)14)10-3-6(4-11)5-12/h3-4,7,10,12H,5H2,1-2H3,(H,13,14)(H,15,16)/b6-3-/t7-/m0/s1 | 定義日: | 2014-08-15 | 最終更新日: | 2024-05-08 | 公開日: | 2015-01-21 | 識別子(ID): | N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine |
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![Q41 Q41](https://data.pdbj.org/pdbjplus/data/cc/svg/Q41.svg) | Q41 | 表記: | 2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium | 組成式: | C30 H32 F N4 O3 | SMILES: | Cn1cc[n+](Cc2cc(c3CCN(Cc4cc(OC)cc(OC)c4)C(=O)c3c2)c2ccc(F)cc2C)c1N | InChi: | InChI=1S/C30H31FN4O3/c1-19-11-22(31)5-6-25(19)27-14-21(18-35-10-9-33(2)30(35)32)15-28-26(27)7-8-34(29(28)36)17-20-12-23(37-3)16-24(13-20)38-4/h5-6,9-16,32H,7-8,17-18H2,1-4H3/p+1 | 定義日: | 2019-09-19 | 最終更新日: | 2024-05-08 | 公開日: | 2020-01-01 | 識別子(ID): | 2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium |
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![BU0 BU0](https://data.pdbj.org/pdbjplus/data/cc/svg/BU0.svg) | BU0 | 表記: | 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide | 組成式: | C27 H25 N5 O2 | SMILES: | CC(NC(=O)c1cc2C(=O)[n+]3ccccc3Nc2[n+](Cc2ccccc2)c1N)c1ccccc1 | InChi: | InChI=1S/C27H23N5O2/c1-18(20-12-6-3-7-13-20)29-26(33)21-16-22-25(30-23-14-8-9-15-31(23)27(22)34)32(24(21)28)17-19-10-4-2-5-11-19/h2-16,18,28H,17H2,1H3,(H,29,33)/p+2/t18-/m0/s1 | 定義日: | 2019-03-07 | 最終更新日: | 2024-05-08 | 公開日: | 2020-02-19 | 識別子(ID): | 2-amino-1-benzyl-5-oxo-3-{[(1S)-1-phenylethyl]carbamoyl}-5,11-dihydrodipyrido[1,2-a:2',3'-d]pyrimidine-1,6-diium |
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![8VV 8VV](https://data.pdbj.org/pdbjplus/data/cc/svg/8VV.svg) | 8VV | 表記: | (1S)-2-{2-[(R)-(2R)-2-amino-2-carboxyethanesulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethan-1-aminium | 組成式: | C12 H21 N4 O5 S | SMILES: | O=S(CC(N)C(=O)O)c1nc(CC(C(=O)O)[N+](C)(C)C)c[NH]1 | InChi: | InChI=1S/C12H20N4O5S/c1-16(2,3)9(11(19)20)4-7-5-14-12(15-7)22(21)6-8(13)10(17)18/h5,8-9H,4,6,13H2,1-3H3,(H2-,14,15,17,18,19,20)/p+1/t8-,9-,22+/m0/s1 | 定義日: | 2017-03-08 | 最終更新日: | 2024-05-08 | 公開日: | 2018-03-07 | 識別子(ID): | (1S)-2-{2-[(R)-(2R)-2-amino-2-carboxyethanesulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethan-1-aminium |
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![Y2W Y2W](https://data.pdbj.org/pdbjplus/data/cc/svg/Y2W.svg) | Y2W | 表記: | [(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid | 組成式: | C7 H15 N O6 S | SMILES: | N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1C[S](O)(=O)=O | InChi: | InChI=1S/C7H15NO6S/c8-4-1-5(9)7(11)6(10)3(4)2-15(12,13)14/h3-7,9-11H,1-2,8H2,(H,12,13,14)/t3-,4+,5-,6+,7+/m0/s1 | 定義日: | 2023-11-16 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | [(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid |
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![ZP2 ZP2](https://data.pdbj.org/pdbjplus/data/cc/svg/ZP2.svg) | ZP2 | 表記: | (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone | 組成式: | C14 H10 F N O6 | SMILES: | COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2cc(O)cc(F)c2 | InChi: | InChI=1S/C14H10FNO6/c1-22-12-5-8(4-11(14(12)19)16(20)21)13(18)7-2-9(15)6-10(17)3-7/h2-6,17,19H,1H3 | 別名: | Pharmacokinetically Improved TTR Binder (PITB) | 定義日: | 2023-06-29 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone |
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![Y6Z Y6Z](https://data.pdbj.org/pdbjplus/data/cc/svg/Y6Z.svg) | Y6Z | 表記: | Antascomicine B | 組成式: | C37 H57 N O10 | SMILES: | C[CH]1CC[CH](OC(=O)[CH]2CCCCN2C(=O)C(=O)[C]3(O)O[CH](CC[CH]3C)[CH](C)C(=O)C=CCCC=C1)[CH](C)C[CH]4CC[CH](O)[CH](O)[CH]4O | InChi: | InChI=1S/C37H57NO10/c1-22-11-7-5-6-8-13-28(39)25(4)31-19-15-24(3)37(46,48-31)34(43)35(44)38-20-10-9-12-27(38)36(45)47-30(18-14-22)23(2)21-26-16-17-29(40)33(42)32(26)41/h7-8,11,13,22-27,29-33,40-42,46H,5-6,9-10,12,14-21H2,1-4H3/b11-7+,13-8+/t22-,23+,24+,25-,26-,27-,29+,30-,31-,32-,33-,37+/m0/s1 | 別名: | (1R,9S,12S,15S,16E,20E,23R,24S,27R)-1-Hydroxy-15,23,27-trimethyl-12-{(2R)-1-[(1S,2S,3S,4R)-2,3,4-trihydroxycyclohexyl]-2-propanyl}-11,28-dioxa-4-azatricyclo[22.3.1.0~4,9~]octacosa-16,20-diene-2,3,10,22-tetrone | 定義日: | 2023-11-23 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | (1~{R},9~{S},12~{S},15~{R},16~{E},20~{E},23~{R},24~{S},27~{R})-15,23,27-trimethyl-1-oxidanyl-12-[(2~{R})-1-[(1~{S},2~{S},3~{S},4~{R})-2,3,4-tris(oxidanyl)cyclohexyl]propan-2-yl]-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacosa-16,20-diene-2,3,10,22-tetrone |
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![YR5 YR5](https://data.pdbj.org/pdbjplus/data/cc/svg/YR5.svg) | YR5 | 表記: | 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid | 組成式: | C15 H16 F N2 O7 P | SMILES: | Oc1c(CNc2cc(cc(F)c2)C(=O)O)c(cnc1C)COP(=O)(O)O | InChi: | InChI=1S/C15H16FN2O7P/c1-8-14(19)13(10(5-17-8)7-25-26(22,23)24)6-18-12-3-9(15(20)21)2-11(16)4-12/h2-5,18-19H,6-7H2,1H3,(H,20,21)(H2,22,23,24) | 定義日: | 2023-12-11 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid |
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![ZXT ZXT](https://data.pdbj.org/pdbjplus/data/cc/svg/ZXT.svg) | ZXT | 表記: | 5-(dimethylsulfamoyl)-~{N}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide | 組成式: | C17 H22 N4 O3 S2 | SMILES: | CN(C)[S](=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)Nc3sc(C)cn3 | InChi: | InChI=1S/C17H22N4O3S2/c1-12-11-18-17(25-12)19-16(22)14-10-13(26(23,24)20(2)3)6-7-15(14)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,22) | 定義日: | 2023-07-10 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | 5-(dimethylsulfamoyl)-~{N}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide |
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![4Q8 4Q8](https://data.pdbj.org/pdbjplus/data/cc/svg/4Q8.svg) | 4Q8 | 表記: | 5-methyl-1-(phenylmethyl)imidazole | 組成式: | C11 H12 N2 | SMILES: | Cc1cncn1Cc2ccccc2 | InChi: | InChI=1S/C11H12N2/c1-10-7-12-9-13(10)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3 | 定義日: | 2023-01-09 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | 5-methyl-1-(phenylmethyl)imidazole |
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![F9M F9M](https://data.pdbj.org/pdbjplus/data/cc/svg/F9M.svg) | F9M | 表記: | [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | 組成式: | C25 H23 F3 N8 O S2 | SMILES: | Cc1sc(c(C)n1)c2csc(Nc3ccc(cn3)C(=O)N4[CH]5CC[CH]4CN(C5)c6ncc(cn6)C(F)(F)F)n2 | InChi: | InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)/t17-,18+ | 定義日: | 2023-07-04 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone |
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![FDO FDO](https://data.pdbj.org/pdbjplus/data/cc/svg/FDO.svg) | FDO | 表記: | (2~{R})-4-methyl-2-(methylamino)pentanamide | 組成式: | C7 H16 N2 O | SMILES: | CN[CH](CC(C)C)C(N)=O | InChi: | InChI=1S/C7H16N2O/c1-5(2)4-6(9-3)7(8)10/h5-6,9H,4H2,1-3H3,(H2,8,10)/t6-/m1/s1 | 定義日: | 2023-07-19 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | (2~{R})-4-methyl-2-(methylamino)pentanamide |
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