![I0B I0B](https://data.pdbj.org/pdbjplus/data/cc/svg/I0B.svg) | I0B | 表記: | 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine | 組成式: | C30 H38 Br N11 O4 | SMILES: | Brc1cccc(c1)NC(=N)NCCCN(CCNC(=O)NCc1ccccc1)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C30H38BrN11O4/c31-20-8-4-9-21(14-20)40-29(33)34-10-5-12-41(13-11-35-30(45)36-15-19-6-2-1-3-7-19)16-22-24(43)25(44)28(46-22)42-18-39-23-26(32)37-17-38-27(23)42/h1-4,6-9,14,17-18,22,24-25,28,43-44H,5,10-13,15-16H2,(H2,32,37,38)(H3,33,34,40)(H2,35,36,45)/t22-,24-,25-,28-/m1/s1 | 定義日: | 2023-05-01 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine |
|
![RK3 RK3](https://data.pdbj.org/pdbjplus/data/cc/svg/RK3.svg) | RK3 | 表記: | (1S,3S,4R,5R,7R,15R,16S,17R)-5-imidazo[2,1-f]purin-3-yl-10,12-bis(oxidanyl)-10,12-bis(oxidanylidene)-2,6,9,11,13,18-hexaoxa-10$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{3,7}]octadecane-4,16,17-triol | 組成式: | C17 H21 N5 O13 P2 | SMILES: | O[CH]1[CH](O)[CH]2O[CH]1CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O2)n4cnc5c6nccn6cnc45 | InChi: | InChI=1S/C17H21N5O13P2/c23-10-7-3-30-36(26,27)35-37(28,29)31-4-8-13(34-17(33-7)11(10)24)12(25)16(32-8)22-6-19-9-14-18-1-2-21(14)5-20-15(9)22/h1-2,5-8,10-13,16-17,23-25H,3-4H2,(H,26,27)(H,28,29)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1 | 別名: | 1''-3'gc(etheno)ADPR | 定義日: | 2022-11-30 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | (1~{S},3~{S},4~{R},5~{R},7~{R},15~{R},16~{S},17~{R})-5-imidazo[2,1-f]purin-3-yl-10,12-bis(oxidanyl)-10,12-bis(oxidanylidene)-2,6,9,11,13,18-hexaoxa-10$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{3,7}]octadecane-4,16,17-triol |
|
![XZX XZX](https://data.pdbj.org/pdbjplus/data/cc/svg/XZX.svg) | XZX | 表記: | (2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide | 組成式: | C9 H9 Cl2 N O2 | SMILES: | Clc1cc(NC(=O)C(C)O)cc(Cl)c1 | InChi: | InChI=1S/C9H9Cl2NO2/c1-5(13)9(14)12-8-3-6(10)2-7(11)4-8/h2-5,13H,1H3,(H,12,14)/t5-/m0/s1 | 定義日: | 2023-11-14 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | (2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide |
|
![Y0H Y0H](https://data.pdbj.org/pdbjplus/data/cc/svg/Y0H.svg) | Y0H | 表記: | 3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine | 組成式: | C10 H10 Cl N3 | SMILES: | Cn1nc(cc1N)c1ccc(Cl)cc1 | InChi: | InChI=1S/C10H10ClN3/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3 | 定義日: | 2023-11-14 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | 3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine |
|
![WN9 WN9](https://data.pdbj.org/pdbjplus/data/cc/svg/WN9.svg) | WN9 | 表記: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2S)-2-azanyl-3-methyl-butanoate | 組成式: | C15 H23 N6 O8 P | SMILES: | CC(C)[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C15H23N6O8P/c1-6(2)8(16)15(24)29-30(25,26)27-3-7-10(22)11(23)14(28-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-8,10-11,14,22-23H,3,16H2,1-2H3,(H,25,26)(H2,17,18,19)/t7-,8+,10-,11-,14-/m1/s1 | 別名: | Valyl adenylate | 定義日: | 2023-10-11 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S})-2-azanyl-3-methyl-butanoate |
|
![Y0L Y0L](https://data.pdbj.org/pdbjplus/data/cc/svg/Y0L.svg) | Y0L | 表記: | N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide | 組成式: | C16 H15 N O2 | SMILES: | O=C(NCc1cc2CCOc2cc1)c1ccccc1 | InChi: | InChI=1S/C16H15NO2/c18-16(13-4-2-1-3-5-13)17-11-12-6-7-15-14(10-12)8-9-19-15/h1-7,10H,8-9,11H2,(H,17,18) | 定義日: | 2023-11-14 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide |
|
![Y0O Y0O](https://data.pdbj.org/pdbjplus/data/cc/svg/Y0O.svg) | Y0O | 表記: | 5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid | 組成式: | C15 H17 N O2 | SMILES: | OC(=O)c1cc(C#CCC2CCCCC2)cnc1 | InChi: | InChI=1S/C15H17NO2/c17-15(18)14-9-13(10-16-11-14)8-4-7-12-5-2-1-3-6-12/h9-12H,1-3,5-7H2,(H,17,18) | 定義日: | 2023-11-14 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | 5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid |
|
![Y0S Y0S](https://data.pdbj.org/pdbjplus/data/cc/svg/Y0S.svg) | Y0S | 表記: | N-[(3-methylthiophen-2-yl)methyl]benzamide | 組成式: | C13 H13 N O S | SMILES: | Cc1ccsc1CNC(=O)c1ccccc1 | InChi: | InChI=1S/C13H13NOS/c1-10-7-8-16-12(10)9-14-13(15)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,14,15) | 定義日: | 2023-11-14 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | N-[(3-methylthiophen-2-yl)methyl]benzamide |
|
![Y0W Y0W](https://data.pdbj.org/pdbjplus/data/cc/svg/Y0W.svg) | Y0W | 表記: | 2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1H-benzimidazole | 組成式: | C12 H12 F3 N3 | SMILES: | FC(F)(F)c1cc2nc([NH]c2cc1)C1CCNC1 | InChi: | InChI=1S/C12H12F3N3/c13-12(14,15)8-1-2-9-10(5-8)18-11(17-9)7-3-4-16-6-7/h1-2,5,7,16H,3-4,6H2,(H,17,18)/t7-/m0/s1 | 定義日: | 2023-11-14 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | 2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1H-benzimidazole |
|
![XKU XKU](https://data.pdbj.org/pdbjplus/data/cc/svg/XKU.svg) | XKU | 表記: | 1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol | 組成式: | C20 H27 F3 N6 O3 S | SMILES: | O=S(=O)(C1CC1)N1CCC(Nc2nc(c3cn(CC(C)(C)O)nc3)c(cn2)C(F)(F)F)CC1 | InChi: | InChI=1S/C20H27F3N6O3S/c1-19(2,30)12-28-11-13(9-25-28)17-16(20(21,22)23)10-24-18(27-17)26-14-5-7-29(8-6-14)33(31,32)15-3-4-15/h9-11,14-15,30H,3-8,12H2,1-2H3,(H,24,26,27) | 定義日: | 2023-11-03 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | 1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol |
|
![W6O W6O](https://data.pdbj.org/pdbjplus/data/cc/svg/W6O.svg) | W6O | 表記: | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide | 組成式: | C22 H24 Cl2 N2 O3 S | SMILES: | Cc1ccc(cc1)[S](=O)(=O)N2C[CH]3CC(C[CH]3C2)C(=O)NCc4ccc(Cl)cc4Cl | InChi: | InChI=1S/C22H24Cl2N2O3S/c1-14-2-6-20(7-3-14)30(28,29)26-12-17-8-16(9-18(17)13-26)22(27)25-11-15-4-5-19(23)10-21(15)24/h2-7,10,16-18H,8-9,11-13H2,1H3,(H,25,27)/t16-,17+,18- | 定義日: | 2023-09-26 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide |
|
![YL8 YL8](https://data.pdbj.org/pdbjplus/data/cc/svg/YL8.svg) | YL8 | 表記: | 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole | 組成式: | C9 H4 F6 N4 | SMILES: | FC(F)(F)c1cc(cc(c1)c1n[NH]nn1)C(F)(F)F | InChi: | InChI=1S/C9H4F6N4/c10-8(11,12)5-1-4(7-16-18-19-17-7)2-6(3-5)9(13,14)15/h1-3H,(H,16,17,18,19) | 定義日: | 2023-02-09 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole |
|
![Y3N Y3N](https://data.pdbj.org/pdbjplus/data/cc/svg/Y3N.svg) | Y3N | 表記: | N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide | 組成式: | C10 H7 F3 N2 O | SMILES: | O=C(C)Nc1ccc(cc1C(F)(F)F)C#N | InChi: | InChI=1S/C10H7F3N2O/c1-6(16)15-9-3-2-7(5-14)4-8(9)10(11,12)13/h2-4H,1H3,(H,15,16) | 定義日: | 2023-11-16 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide |
|
![UIM UIM](https://data.pdbj.org/pdbjplus/data/cc/svg/UIM.svg) | UIM | 表記: | N-[4-(4-amino-7-methyl-5-{4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylpropanamide | 組成式: | C28 H27 N7 O2 | SMILES: | CC(C)C(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)c1ccc(Oc2nc(C)ccn2)cc1 | InChi: | InChI=1S/C28H27N7O2/c1-16(2)27(36)34-20-9-5-19(6-10-20)24-22(23-25(29)31-15-32-26(23)35(24)4)18-7-11-21(12-8-18)37-28-30-14-13-17(3)33-28/h5-16H,1-4H3,(H,34,36)(H2,29,31,32) | 定義日: | 2023-09-05 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | N-[4-(4-amino-7-methyl-5-{4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylpropanamide |
|
![WTV WTV](https://data.pdbj.org/pdbjplus/data/cc/svg/WTV.svg) | WTV | 表記: | N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2R)-1-[(2R)-oxolan-2-yl]-3-[(3R)-2-oxooxolan-3-yl]propan-2-yl}-L-leucinamide | 組成式: | C34 H44 F N3 O7 | SMILES: | Fc1ccc(cc1)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCCO1)CC1CCOC1=O | InChi: | InChI=1S/C34H44FN3O7/c1-22(2)17-29(31(39)36-27(20-28-9-6-15-43-28)19-25-14-16-44-33(25)41)37-32(40)30(18-23-10-12-26(35)13-11-23)38-34(42)45-21-24-7-4-3-5-8-24/h3-5,7-8,10-13,22,25,27-30H,6,9,14-21H2,1-2H3,(H,36,39)(H,37,40)(H,38,42)/t25-,27+,28+,29-,30-/m0/s1 | 定義日: | 2023-10-12 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2R)-1-[(2R)-oxolan-2-yl]-3-[(3R)-2-oxooxolan-3-yl]propan-2-yl}-L-leucinamide |
|
![Y9M Y9M](https://data.pdbj.org/pdbjplus/data/cc/svg/Y9M.svg) | Y9M | 表記: | N-[(2S)-2-fluoro-4,4-dimethylpentanoyl]-3-hydroxy-L-valyl-(betaS)-beta-methyl-L-phenylalanyl-D-alanyl-N-benzyl-N,O-dimethyl-L-homoserinamide | 組成式: | C38 H56 F N5 O7 | SMILES: | CN(Cc1ccccc1)C(=O)C(CCOC)NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C(F)CC(C)(C)C)C(C)(C)O)C(C)c1ccccc1 | InChi: | InChI=1S/C38H56FN5O7/c1-24(27-18-14-11-15-19-27)30(42-35(48)31(38(6,7)50)43-33(46)28(39)22-37(3,4)5)34(47)40-25(2)32(45)41-29(20-21-51-9)36(49)44(8)23-26-16-12-10-13-17-26/h10-19,24-25,28-31,50H,20-23H2,1-9H3,(H,40,47)(H,41,45)(H,42,48)(H,43,46)/t24-,25+,28-,29-,30-,31+/m0/s1 | 定義日: | 2023-11-28 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | N-[(2S)-2-fluoro-4,4-dimethylpentanoyl]-3-hydroxy-L-valyl-(betaS)-beta-methyl-L-phenylalanyl-D-alanyl-N-benzyl-N,O-dimethyl-L-homoserinamide |
|
![YSQ YSQ](https://data.pdbj.org/pdbjplus/data/cc/svg/YSQ.svg) | YSQ | 表記: | 4,4'-{pyridine-2,6-diylbis[carbonyl-(1E)-hydrazin-2-yl-1-ylidene-(E)-methanylylidene]}bis(1-methylquinolin-1-ium) | 組成式: | C29 H25 N7 O2 | SMILES: | O=C(N/N=C/c1cc[n+](C)c2ccccc21)c1cccc(n1)C(=O)N/N=C/c1cc[n+](C)c2ccccc21 | InChi: | InChI=1S/C29H23N7O2/c1-35-16-14-20(22-8-3-5-12-26(22)35)18-30-33-28(37)24-10-7-11-25(32-24)29(38)34-31-19-21-15-17-36(2)27-13-6-4-9-23(21)27/h3-19H,1-2H3/p+2 | 定義日: | 2023-02-17 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | 4,4'-{pyridine-2,6-diylbis[carbonyl-(1E)-hydrazin-2-yl-1-ylidene-(E)-methanylylidene]}bis(1-methylquinolin-1-ium) |
|
![ZFW ZFW](https://data.pdbj.org/pdbjplus/data/cc/svg/ZFW.svg) | ZFW | 表記: | 4-amino-5-chloro-2-{4-(1-beta-D-glucopyranuronosylpiperidin-4-yl)-5-methyl-2-[(propan-2-yl)oxy]anilino}pyrimidine | 組成式: | C25 H34 Cl N5 O7 | SMILES: | CC(C)Oc1cc(c(C)cc1Nc1nc(N)c(Cl)cn1)C1CCN(CC1)C1OC(C(O)C(O)C1O)C(=O)O | InChi: | InChI=1S/C25H34ClN5O7/c1-11(2)37-17-9-14(12(3)8-16(17)29-25-28-10-15(26)22(27)30-25)13-4-6-31(7-5-13)23-20(34)18(32)19(33)21(38-23)24(35)36/h8-11,13,18-21,23,32-34H,4-7H2,1-3H3,(H,35,36)(H3,27,28,29,30)/t18-,19-,20+,21-,23+/m0/s1 | 定義日: | 2023-03-09 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | 4-amino-5-chloro-2-{4-(1-beta-D-glucopyranuronosylpiperidin-4-yl)-5-methyl-2-[(propan-2-yl)oxy]anilino}pyrimidine |
|
![XC8 XC8](https://data.pdbj.org/pdbjplus/data/cc/svg/XC8.svg) | XC8 | 表記: | 4'-fluoro-6-(trifluoromethyl)[1,1'-biphenyl]-2-yl 2-acetamido-2-deoxy-beta-D-galactopyranoside | 組成式: | C21 H21 F4 N O6 | SMILES: | FC(F)(F)c1cccc(OC2OC(CO)C(O)C(O)C2NC(C)=O)c1c1ccc(F)cc1 | InChi: | InChI=1S/C21H21F4NO6/c1-10(28)26-17-19(30)18(29)15(9-27)32-20(17)31-14-4-2-3-13(21(23,24)25)16(14)11-5-7-12(22)8-6-11/h2-8,15,17-20,27,29-30H,9H2,1H3,(H,26,28)/t15-,17-,18+,19-,20-/m1/s1 | 定義日: | 2023-10-30 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | 4'-fluoro-6-(trifluoromethyl)[1,1'-biphenyl]-2-yl 2-acetamido-2-deoxy-beta-D-galactopyranoside |
|
![WXQ WXQ](https://data.pdbj.org/pdbjplus/data/cc/svg/WXQ.svg) | WXQ | 表記: | N-{4-[4-amino-5-(4-methoxyphenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}prop-2-enamide | 組成式: | C23 H21 N5 O2 | SMILES: | C=CC(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)c1ccc(OC)cc1 | InChi: | InChI=1S/C23H21N5O2/c1-4-18(29)27-16-9-5-15(6-10-16)21-19(14-7-11-17(30-3)12-8-14)20-22(24)25-13-26-23(20)28(21)2/h4-13H,1H2,2-3H3,(H,27,29)(H2,24,25,26) | 定義日: | 2023-05-22 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | N-{4-[4-amino-5-(4-methoxyphenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}prop-2-enamide |
|
![WXW WXW](https://data.pdbj.org/pdbjplus/data/cc/svg/WXW.svg) | WXW | 表記: | (13S,16R,19S)-16-benzyl-43-ethoxy-N-methyl-7,11,14,17-tetraoxo-13-phenyl-5-oxa-2,8,12,15,18-pentaaza-1(1,4),4(1,2)-dibenzena-9(1,4)-cyclohexanacycloicosaphane-19-carboxamide | 組成式: | C46 H54 N6 O7 | SMILES: | CCOc1cccc2CNc3ccc(C[CH](NC(=O)[CH](Cc4ccccc4)NC(=O)[CH](NC(=O)CC5CCC(CC5)NC(=O)COc12)c6ccccc6)C(=O)NC)cc3 | InChi: | InChI=1S/C46H54N6O7/c1-3-58-39-16-10-15-34-28-48-35-21-17-31(18-22-35)26-37(44(55)47-2)50-45(56)38(25-30-11-6-4-7-12-30)51-46(57)42(33-13-8-5-9-14-33)52-40(53)27-32-19-23-36(24-20-32)49-41(54)29-59-43(34)39/h4-18,21-22,32,36-38,42,48H,3,19-20,23-29H2,1-2H3,(H,47,55)(H,49,54)(H,50,56)(H,51,57)(H,52,53)/t32-,36-,37-,38+,42+/m0/s1 | 別名: | 4-O-BETA-METHYL-D-GLUCOPYRANOSYL CELLOBIONOLACTAM OXIME | 定義日: | 2023-10-17 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 |
|
![XWH XWH](https://data.pdbj.org/pdbjplus/data/cc/svg/XWH.svg) | XWH | 表記: | 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine | 組成式: | C9 H6 F3 N3 | SMILES: | FC(F)(F)c1cc([NH]n1)c1ccncc1 | InChi: | InChI=1S/C9H6F3N3/c10-9(11,12)8-5-7(14-15-8)6-1-3-13-4-2-6/h1-5H,(H,14,15) | 定義日: | 2023-11-14 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine |
|
![WYR WYR](https://data.pdbj.org/pdbjplus/data/cc/svg/WYR.svg) | WYR | 表記: | N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2S,3R)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-[(propan-2-yl)amino]butan-2-yl}-L-leucinamide | 組成式: | C34 H46 F N5 O7 | SMILES: | Fc1ccc(cc1)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)C(=O)NC(C)C | InChi: | InChI=1S/C34H46FN5O7/c1-20(2)16-27(31(43)38-26(18-24-14-15-36-30(24)42)29(41)33(45)37-21(3)4)39-32(44)28(17-22-10-12-25(35)13-11-22)40-34(46)47-19-23-8-6-5-7-9-23/h5-13,20-21,24,26-29,41H,14-19H2,1-4H3,(H,36,42)(H,37,45)(H,38,43)(H,39,44)(H,40,46)/t24-,26-,27-,28-,29+/m0/s1 | 別名: | GSK3487016A | 定義日: | 2023-10-17 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2S,3R)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-[(propan-2-yl)amino]butan-2-yl}-L-leucinamide |
|
![ZL6 ZL6](https://data.pdbj.org/pdbjplus/data/cc/svg/ZL6.svg) | ZL6 | 表記: | 2-[(2,6-diethyl-4-pyridin-4-yl-phenyl)amino]-6-(1,4-oxazepan-4-ylmethyl)benzoic acid | 組成式: | C28 H33 N3 O3 | SMILES: | CCc1cc(cc(CC)c1Nc2cccc(CN3CCCOCC3)c2C(O)=O)c4ccncc4 | InChi: | InChI=1S/C28H33N3O3/c1-3-20-17-24(22-9-11-29-12-10-22)18-21(4-2)27(20)30-25-8-5-7-23(26(25)28(32)33)19-31-13-6-15-34-16-14-31/h5,7-12,17-18,30H,3-4,6,13-16,19H2,1-2H3,(H,32,33) | 定義日: | 2023-03-30 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | 2-[(2,6-diethyl-4-pyridin-4-yl-phenyl)amino]-6-(1,4-oxazepan-4-ylmethyl)benzoic acid |
|
![WJ5 WJ5](https://data.pdbj.org/pdbjplus/data/cc/svg/WJ5.svg) | WJ5 | 表記: | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide | 組成式: | C21 H23 Cl2 N3 O3 S | SMILES: | Cc1ccc(cc1)[S](=O)(=O)N2C[CH]3CN(C[CH]3C2)C(=O)NCc4ccc(Cl)cc4Cl | InChi: | InChI=1S/C21H23Cl2N3O3S/c1-14-2-6-19(7-3-14)30(28,29)26-12-16-10-25(11-17(16)13-26)21(27)24-9-15-4-5-18(22)8-20(15)23/h2-8,16-17H,9-13H2,1H3,(H,24,27)/t16-,17+ | 別名: | 1''-3'gc(etheno)ADPR | 定義日: | 2023-10-05 | 最終更新日: | 2024-02-09 | 公開日: | 2024-02-14 | 識別子(ID): | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide |
|