![5Z3 5Z3](https://data.pdbj.org/pdbjplus/data/cc/svg/5Z3.svg) | 5Z3 | 表記: | 6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione | 組成式: | C16 H14 Cl F3 N4 O3 | SMILES: | O=C(C1=CC(=O)NC(=O)N1)N1CCN(CC1)c1cc(c(Cl)cc1)C(F)(F)F | InChi: | InChI=1S/C16H14ClF3N4O3/c17-11-2-1-9(7-10(11)16(18,19)20)23-3-5-24(6-4-23)14(26)12-8-13(25)22-15(27)21-12/h1-2,7-8H,3-6H2,(H2,21,22,25,27) | 定義日: | 2021-07-28 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | 6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione |
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![5Z7 5Z7](https://data.pdbj.org/pdbjplus/data/cc/svg/5Z7.svg) | 5Z7 | 表記: | 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | 組成式: | C15 H14 Br Cl N4 O3 | SMILES: | O=C(C1=CC(=O)NC(=O)N1)N1CCN(CC1)c1ccc(Br)c(Cl)c1 | InChi: | InChI=1S/C15H14BrClN4O3/c16-10-2-1-9(7-11(10)17)20-3-5-21(6-4-20)14(23)12-8-13(22)19-15(24)18-12/h1-2,7-8H,3-6H2,(H2,18,19,22,24) | 定義日: | 2021-07-28 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione |
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![5ZJ 5ZJ](https://data.pdbj.org/pdbjplus/data/cc/svg/5ZJ.svg) | 5ZJ | 表記: | 6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione | 組成式: | C16 H14 Cl F3 N4 O3 | SMILES: | O=C(C1=CC(=O)NC(=O)N1)N1CCN(CC1)c1ccc(c(Cl)c1)C(F)(F)F | InChi: | InChI=1S/C16H14ClF3N4O3/c17-11-7-9(1-2-10(11)16(18,19)20)23-3-5-24(6-4-23)14(26)12-8-13(25)22-15(27)21-12/h1-2,7-8H,3-6H2,(H2,21,22,25,27) | 定義日: | 2021-07-29 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | 6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione |
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![5ZN 5ZN](https://data.pdbj.org/pdbjplus/data/cc/svg/5ZN.svg) | 5ZN | 表記: | 2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]benzaldehyde | 組成式: | C16 H15 Cl N4 O4 | SMILES: | O=C(C=1CC(=O)NC(=O)N=1)N1CCN(CC1)c1ccc(C=O)c(Cl)c1 | InChi: | InChI=1S/C16H15ClN4O4/c17-12-7-11(2-1-10(12)9-22)20-3-5-21(6-4-20)15(24)13-8-14(23)19-16(25)18-13/h1-2,7,9H,3-6,8H2,(H,19,23,25) | 定義日: | 2021-07-29 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | 2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]benzaldehyde |
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![5ZT 5ZT](https://data.pdbj.org/pdbjplus/data/cc/svg/5ZT.svg) | 5ZT | 表記: | 6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3H,5H)-dione | 組成式: | C16 H17 Cl N4 O4 | SMILES: | O=C(C=1CC(=O)NC(=O)N=1)N1CCN(CC1)c1ccc(CO)c(Cl)c1 | InChi: | InChI=1S/C16H17ClN4O4/c17-12-7-11(2-1-10(12)9-22)20-3-5-21(6-4-20)15(24)13-8-14(23)19-16(25)18-13/h1-2,7,22H,3-6,8-9H2,(H,19,23,25) | 定義日: | 2021-07-30 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | 6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3H,5H)-dione |
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![5ZW 5ZW](https://data.pdbj.org/pdbjplus/data/cc/svg/5ZW.svg) | 5ZW | 表記: | 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | 組成式: | C15 H15 Cl N4 O3 | SMILES: | O=C(C1=CC(=O)NC(=O)N1)N1CCN(CC1)c1ccc(Cl)cc1 | InChi: | InChI=1S/C15H15ClN4O3/c16-10-1-3-11(4-2-10)19-5-7-20(8-6-19)14(22)12-9-13(21)18-15(23)17-12/h1-4,9H,5-8H2,(H2,17,18,21,23) | 定義日: | 2021-07-30 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione |
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![1GI 1GI](https://data.pdbj.org/pdbjplus/data/cc/svg/1GI.svg) | 1GI | 表記: | 8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1R)-1-cyclopropylethyl]amino}-7H-purine-2-carboxylic acid | 組成式: | C26 H22 Cl N5 O2 S | SMILES: | O=C(O)c1nc2nc(c3cc4ccsc4cc3)n(Cc3ccc(Cl)cc3)c2c(NC(C)C2CC2)n1 | InChi: | InChI=1S/C26H22ClN5O2S/c1-14(16-4-5-16)28-22-21-23(30-24(29-22)26(33)34)31-25(18-6-9-20-17(12-18)10-11-35-20)32(21)13-15-2-7-19(27)8-3-15/h2-3,6-12,14,16H,4-5,13H2,1H3,(H,33,34)(H,28,29,30)/t14-/m1/s1 | 定義日: | 2021-06-22 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | 8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1R)-1-cyclopropylethyl]amino}-7H-purine-2-carboxylic acid |
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![1I0 1I0](https://data.pdbj.org/pdbjplus/data/cc/svg/1I0.svg) | 1I0 | 表記: | 3-[4-(5-chloropyridin-3-yl)-2-[(4aR,7aR)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-{[(1r,4R)-4-methylcyclohexyl]methyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one | 組成式: | C28 H32 Cl N7 O3 | SMILES: | CC1CCC(CC1)Cn1c2c(nc(cc2nc1N1CCOC2CCCC21)C=1NC(=O)ON=1)c1cc(Cl)cnc1 | InChi: | InChI=1S/C28H32ClN7O3/c1-16-5-7-17(8-6-16)15-36-25-20(32-27(36)35-9-10-38-23-4-2-3-22(23)35)12-21(26-33-28(37)39-34-26)31-24(25)18-11-19(29)14-30-13-18/h11-14,16-17,22-23H,2-10,15H2,1H3,(H,33,34,37)/t16-,17-,22-,23-/m1/s1 | 定義日: | 2021-06-22 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | 3-[4-(5-chloropyridin-3-yl)-2-[(4aR,7aR)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-{[(1r,4R)-4-methylcyclohexyl]methyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one |
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![1I3 1I3](https://data.pdbj.org/pdbjplus/data/cc/svg/1I3.svg) | 1I3 | 表記: | 3-[4-(5-chloropyridin-3-yl)-2-[(2S)-1-methoxypropan-2-yl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one | 組成式: | C26 H31 Cl N6 O3 | SMILES: | CC(COC)c1nc2cc(nc(c2n1C(C)C1CCC(C)CC1)c1cc(Cl)cnc1)C=1NC(=O)ON=1 | InChi: | InChI=1S/C26H31ClN6O3/c1-14-5-7-17(8-6-14)16(3)33-23-20(30-25(33)15(2)13-35-4)10-21(24-31-26(34)36-32-24)29-22(23)18-9-19(27)12-28-11-18/h9-12,14-17H,5-8,13H2,1-4H3,(H,31,32,34)/t14-,15-,16-,17-/m1/s1 | 定義日: | 2021-06-22 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | 3-[4-(5-chloropyridin-3-yl)-2-[(2S)-1-methoxypropan-2-yl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one |
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![1I9 1I9](https://data.pdbj.org/pdbjplus/data/cc/svg/1I9.svg) | 1I9 | 表記: | 3-[4-(5-chloropyridin-3-yl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one | 組成式: | C28 H33 Cl N6 O3 | SMILES: | CC1CCC(CC1)C(C)n1c2c(nc(cc2nc1C(OCC)C1CC1)C=1NC(=O)ON=1)c1cc(Cl)cnc1 | InChi: | InChI=1S/C28H33ClN6O3/c1-4-37-25(18-9-10-18)27-32-21-12-22(26-33-28(36)38-34-26)31-23(19-11-20(29)14-30-13-19)24(21)35(27)16(3)17-7-5-15(2)6-8-17/h11-18,25H,4-10H2,1-3H3,(H,33,34,36)/t15-,16-,17-,25-/m1/s1 | 定義日: | 2021-06-22 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | 3-[4-(5-chloropyridin-3-yl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one |
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![I9G I9G](https://data.pdbj.org/pdbjplus/data/cc/svg/I9G.svg) | I9G | 表記: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3
-c]isoquinoline | 組成式: | C26 H33 N7 O7 S | SMILES: | C7(O)C(O)C(N1CCN(CC1)c2c3c(nnn2)c4c(s3)nc(c5c4CCCC5)N6CCOCC6)OC(C7O)C(=O)O | InChi: | InChI=1S/C26H33N7O7S/c34-17-18(35)20(26(37)38)40-25(19(17)36)33-7-5-31(6-8-33)23-21-16(28-30-29-23)15-13-3-1-2-4-14(13)22(27-24(15)41-21)32-9-11-39-12-10-32/h17-20,25,34-36H,1-12H2,(H,37,38)/t17-,18-,19+,20-,25+/m0/s1 | 別名: | UNC10201652-glucuronic acid conjugate | 定義日: | 2017-11-15 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline |
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![QOD QOD](https://data.pdbj.org/pdbjplus/data/cc/svg/QOD.svg) | QOD | 表記: | (3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxy-15-methylhexadecan-2-yl]-3-hydroxyheptadecanamide | 組成式: | C40 H79 N O9 | SMILES: | C(C(NC(=O)CC(CCCCCCCCCCCCCC)O)C(CCCCCCCCCCCC(C)C)O)OC1OC(C(C(C1O)O)O)CO | InChi: | InChI=1S/C40H79NO9/c1-4-5-6-7-8-9-10-11-14-17-20-23-26-32(43)28-36(45)41-33(30-49-40-39(48)38(47)37(46)35(29-42)50-40)34(44)27-24-21-18-15-12-13-16-19-22-25-31(2)3/h31-35,37-40,42-44,46-48H,4-30H2,1-3H3,(H,41,45)/t32-,33+,34-,35-,37+,38+,39-,40+/m1/s1 | 定義日: | 2019-12-02 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | (3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxy-15-methylhexadecan-2-yl]-3-hydroxyheptadecanamide |
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![H3F H3F](https://data.pdbj.org/pdbjplus/data/cc/svg/H3F.svg) | H3F | 表記: | Tafenoquine | 組成式: | C24 H28 F3 N3 O3 | SMILES: | COc1cc(C)c2c(Oc3cccc(c3)C(F)(F)F)c(OC)cc(N[CH](C)CCCN)c2n1 | InChi: | InChI=1S/C24H28F3N3O3/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3/t15-/m0/s1 | 別名: | (4S)-N4-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine | 定義日: | 2020-10-30 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | (4~{S})-~{N}4-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine |
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![H3L H3L](https://data.pdbj.org/pdbjplus/data/cc/svg/H3L.svg) | H3L | 表記: | (1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine | 組成式: | C5 H10 N4 | SMILES: | C[CH](N)c1ncnn1C | InChi: | InChI=1S/C5H10N4/c1-4(6)5-7-3-8-9(5)2/h3-4H,6H2,1-2H3/t4-/m0/s1 | 定義日: | 2020-10-30 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | (1~{S})-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine |
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![H5R H5R](https://data.pdbj.org/pdbjplus/data/cc/svg/H5R.svg) | H5R | 表記: | 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine | 組成式: | C21 H24 N2 O2 S | SMILES: | COc1ccc2nc3ccc(OC)cc3c(SCC4CCNCC4)c2c1 | InChi: | InChI=1S/C21H24N2O2S/c1-24-15-3-5-19-17(11-15)21(26-13-14-7-9-22-10-8-14)18-12-16(25-2)4-6-20(18)23-19/h3-6,11-12,14,22H,7-10,13H2,1-2H3 | 定義日: | 2020-11-16 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine |
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![H69 H69](https://data.pdbj.org/pdbjplus/data/cc/svg/H69.svg) | H69 | 表記: | 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | 組成式: | C16 H15 Cl2 N3 O3 | SMILES: | O=C(C1=CC(=O)NC(=O)N1)N1CCC(CC1)c1ccc(Cl)c(Cl)c1 | InChi: | InChI=1S/C16H15Cl2N3O3/c17-11-2-1-10(7-12(11)18)9-3-5-21(6-4-9)15(23)13-8-14(22)20-16(24)19-13/h1-2,7-9H,3-6H2,(H2,19,20,22,24) | 定義日: | 2021-07-30 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione |
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![RQW RQW](https://data.pdbj.org/pdbjplus/data/cc/svg/RQW.svg) | RQW | 表記: | (1~{S},5~{S},6~{R})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | 組成式: | C23 H26 N4 O4 S2 | SMILES: | COC[CH]1CN(Cc2ccccn2)C(=O)[CH]3CCC[CH]1N3[S](=O)(=O)c4ccc5ncsc5c4 | InChi: | InChI=1S/C23H26N4O4S2/c1-31-14-16-12-26(13-17-5-2-3-10-24-17)23(28)21-7-4-6-20(16)27(21)33(29,30)18-8-9-19-22(11-18)32-15-25-19/h2-3,5,8-11,15-16,20-21H,4,6-7,12-14H2,1H3/t16-,20-,21+/m1/s1 | 別名: | (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | 定義日: | 2020-10-20 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | (1~{S},5~{S},6~{R})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one |
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![RRZ RRZ](https://data.pdbj.org/pdbjplus/data/cc/svg/RRZ.svg) | RRZ | 表記: | 2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethanoic acid | 組成式: | C18 H20 Cl2 N2 O5 S | SMILES: | OC(=O)CN1C[CH](C=C)[CH]2CCC[CH](N2[S](=O)(=O)c3cc(Cl)cc(Cl)c3)C1=O | InChi: | InChI=1S/C18H20Cl2N2O5S/c1-2-11-9-21(10-17(23)24)18(25)16-5-3-4-15(11)22(16)28(26,27)14-7-12(19)6-13(20)8-14/h2,6-8,11,15-16H,1,3-5,9-10H2,(H,23,24)/t11-,15+,16-/m0/s1 | 別名: | ((1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)acetic acid | 定義日: | 2020-10-20 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | 2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethanoic acid |
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![RSB RSB](https://data.pdbj.org/pdbjplus/data/cc/svg/RSB.svg) | RSB | 表記: | (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | 組成式: | C24 H28 N4 O4 S2 | SMILES: | COC[CH]1CN([CH](C)c2ccccn2)C(=O)[CH]3CCC[CH]1N3[S](=O)(=O)c4ccc5ncsc5c4 | InChi: | InChI=1S/C24H28N4O4S2/c1-16(19-6-3-4-11-25-19)27-13-17(14-32-2)21-7-5-8-22(24(27)29)28(21)34(30,31)18-9-10-20-23(12-18)33-15-26-20/h3-4,6,9-12,15-17,21-22H,5,7-8,13-14H2,1-2H3/t16-,17+,21+,22-/m0/s1 | 別名: | (1~{S},5~{S},6~{R})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one | 定義日: | 2020-10-20 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | (1~{S},5~{S},6~{R})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one |
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![4W8 4W8](https://data.pdbj.org/pdbjplus/data/cc/svg/4W8.svg) | 4W8 | 表記: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | 組成式: | C32 H35 N5 O5 S | SMILES: | COc1cccc2[NH]c(cc12)C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3ccccc3s1)C2(C)C | InChi: | InChI=1S/C32H35N5O5S/c1-32(2)18-15-37(31(41)22-14-17-19(34-22)8-6-9-23(17)42-3)26(25(18)32)29(40)35-21(13-16-11-12-33-28(16)39)27(38)30-36-20-7-4-5-10-24(20)43-30/h4-10,14,16,18,21,25-27,34,38H,11-13,15H2,1-3H3,(H,33,39)(H,35,40)/t16-,18-,21-,25-,26-,27-/m0/s1 | 定義日: | 2021-07-15 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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![4YG 4YG](https://data.pdbj.org/pdbjplus/data/cc/svg/4YG.svg) | 4YG | 表記: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | 組成式: | C28 H39 N5 O6 S2 | SMILES: | CC(C)C(NS(C)(=O)=O)C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3ccccc3s1)C2(C)C | InChi: | InChI=1S/C28H39N5O6S2/c1-14(2)21(32-41(5,38)39)27(37)33-13-16-20(28(16,3)4)22(33)25(36)30-18(12-15-10-11-29-24(15)35)23(34)26-31-17-8-6-7-9-19(17)40-26/h6-9,14-16,18,20-23,32,34H,10-13H2,1-5H3,(H,29,35)(H,30,36)/t15-,16-,18-,20-,21-,22-,23-/m0/s1 | 定義日: | 2021-07-15 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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![P62 P62](https://data.pdbj.org/pdbjplus/data/cc/svg/P62.svg) | P62 | 表記: | 5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{H}-pyrimidine-2-thione | 組成式: | C16 H21 Cl N4 O S | SMILES: | CN(C)CCNCC1=C(Cc2ccc(Cl)cc2)C(=NC(=S)N1)O | InChi: | InChI=1S/C16H21ClN4OS/c1-21(2)8-7-18-10-14-13(15(22)20-16(23)19-14)9-11-3-5-12(17)6-4-11/h3-6,18H,7-10H2,1-2H3,(H2,19,20,22,23) | 定義日: | 2020-12-02 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | 5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{H}-pyrimidine-2-thione |
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![V8P V8P](https://data.pdbj.org/pdbjplus/data/cc/svg/V8P.svg) | V8P | 表記: | (3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxyheptadecan-2-yl]-3-hydroxyheptadecanamide | 組成式: | C40 H79 N O9 | SMILES: | C(CCCCCCCCCCCCC(C(COC1C(C(O)C(C(O1)CO)O)O)NC(=O)CC(CCCCCCCCCCCCCC)O)O)C | InChi: | InChI=1S/C40H79NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)29-36(45)41-33(31-49-40-39(48)38(47)37(46)35(30-42)50-40)34(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-35,37-40,42-44,46-48H,3-31H2,1-2H3,(H,41,45)/t32-,33+,34-,35-,37+,38+,39-,40+/m1/s1 | 定義日: | 2020-07-17 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | (3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxyheptadecan-2-yl]-3-hydroxyheptadecanamide |
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![WCM WCM](https://data.pdbj.org/pdbjplus/data/cc/svg/WCM.svg) | WCM | 表記: | (2S)-2-amino-3-(biphenyl-4-yl)-N-methyl-N-[(2S)-1-oxopropan-2-yl]propanamide (non-preferred name) | 組成式: | C19 H22 N2 O3 | SMILES: | C(C(Cc2ccc(c1ccccc1)cc2)N)(N(C(C)C(O)=O)C)=O | InChi: | InChI=1S/C19H22N2O3/c1-13(19(23)24)21(2)18(22)17(20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17H,12,20H2,1-2H3,(H,23,24)/t13-,17-/m0/s1 | 定義日: | 2020-10-13 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | (2S)-2-{[(2S)-2-amino-3-(biphenyl-4-yl)propanoyl](methyl)amino}propanoic acid (non-preferred name) |
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![WTD WTD](https://data.pdbj.org/pdbjplus/data/cc/svg/WTD.svg) | WTD | 表記: | 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide | 組成式: | C20 H17 F2 N3 O5 | SMILES: | COc3cc(CCNC(C2=C(C(=O)N=C(c1c(cccc1F)F)N2)O)=O)ccc3O | InChi: | InChI=1S/C20H17F2N3O5/c1-30-14-9-10(5-6-13(14)26)7-8-23-19(28)16-17(27)20(29)25-18(24-16)15-11(21)3-2-4-12(15)22/h2-6,9,26-27H,7-8H2,1H3,(H,23,28)(H,24,25,29) | 定義日: | 2020-11-10 | 最終更新日: | 2021-11-05 | 公開日: | 2021-11-10 | 識別子(ID): | 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide |
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