![M9J M9J](https://data.pdbj.org/pdbjplus/data/cc/svg/M9J.svg) | M9J | 表記: | N-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine | 組成式: | C34 H45 N5 S | SMILES: | C1C(CCCC1)(N2CCCC2)c3sc(nc3C#CCNCC4CCC4)c6cc5ccn(c5cc6)CC7CCCN7 | InChi: | InChI=1S/C34H45N5S/c1-2-16-34(17-3-1,39-20-4-5-21-39)32-30(12-8-18-35-24-26-9-6-10-26)37-33(40-32)28-13-14-31-27(23-28)15-22-38(31)25-29-11-7-19-36-29/h13-15,22-23,26,29,35-36H,1-7,9-11,16-21,24-25H2/t29-/m0/s1 | 定義日: | 2019-03-28 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | N-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine |
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![M9S M9S](https://data.pdbj.org/pdbjplus/data/cc/svg/M9S.svg) | M9S | 表記: | 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole | 組成式: | C26 H34 N4 S | SMILES: | N1(CCCC1)C2(CCCCC2)c6sc(c3cc5c(cc3)n(CC4CCCN4)cc5)nc6 | InChi: | InChI=1S/C26H34N4S/c1-2-11-26(12-3-1,30-14-4-5-15-30)24-18-28-25(31-24)21-8-9-23-20(17-21)10-16-29(23)19-22-7-6-13-27-22/h8-10,16-18,22,27H,1-7,11-15,19H2/t22-/m0/s1 | 定義日: | 2019-03-28 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole |
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![M9Y M9Y](https://data.pdbj.org/pdbjplus/data/cc/svg/M9Y.svg) | M9Y | 表記: | 3-(2-{1-[2-(piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine | 組成式: | C33 H42 F3 N5 S | SMILES: | FC(F)(F)CNCC#Cc1c(sc(n1)c3cc2ccn(c2cc3)CCC4CCNCC4)C5(CCCCC5)N6CCCC6 | InChi: | InChI=1S/C33H42F3N5S/c34-33(35,36)24-38-16-6-7-28-30(32(14-2-1-3-15-32)41-19-4-5-20-41)42-31(39-28)27-8-9-29-26(23-27)13-22-40(29)21-12-25-10-17-37-18-11-25/h8-9,13,22-23,25,37-38H,1-5,10-12,14-21,24H2 | 定義日: | 2019-03-28 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | 3-(2-{1-[2-(piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine |
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![KSZ KSZ](https://data.pdbj.org/pdbjplus/data/cc/svg/KSZ.svg) | KSZ | 表記: | ~{tert}-butyl ~{N}-[3-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate | 組成式: | C28 H33 Cl N6 O4 | SMILES: | COc1ccc2n3c(C)nnc3[CH](CC(=O)NCCCNC(=O)OC(C)(C)C)N=C(c4ccc(Cl)cc4)c2c1 | InChi: | InChI=1S/C28H33ClN6O4/c1-17-33-34-26-22(16-24(36)30-13-6-14-31-27(37)39-28(2,3)4)32-25(18-7-9-19(29)10-8-18)21-15-20(38-5)11-12-23(21)35(17)26/h7-12,15,22H,6,13-14,16H2,1-5H3,(H,30,36)(H,31,37)/t22-/m0/s1 | 定義日: | 2019-06-20 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | ~{tert}-butyl ~{N}-[3-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate |
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![N0V N0V](https://data.pdbj.org/pdbjplus/data/cc/svg/N0V.svg) | N0V | 表記: | (3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide | 組成式: | C39 H40 N8 O3 | SMILES: | C1CC1c2cc(ccn2)c8c7c(ccc(NC(C3(CN(CC3)CC(N4CC=C(CC4)c5ccc(cc5)c6ncccn6)=O)COC)=O)c7)nn8 | InChi: | InChI=1S/C39H40N8O3/c1-50-25-39(38(49)43-31-9-10-33-32(22-31)36(45-44-33)30-11-17-40-34(21-30)28-5-6-28)14-20-46(24-39)23-35(48)47-18-12-27(13-19-47)26-3-7-29(8-4-26)37-41-15-2-16-42-37/h2-4,7-12,15-17,21-22,28H,5-6,13-14,18-20,23-25H2,1H3,(H,43,49)(H,44,45)/t39-/m1/s1 | 定義日: | 2019-04-29 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | (3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide |
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![OXV OXV](https://data.pdbj.org/pdbjplus/data/cc/svg/OXV.svg) | OXV | 表記: | ~{N}-[2-[2-[2-[2-[2-[2-[(1-methylquinolin-4-yl)methyl]-1,3-benzothiazol-3-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide | 組成式: | C33 H44 N4 O5 S | SMILES: | CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n]1c(Cc2cc[n](C)c3ccccc23)sc4ccccc14 | InChi: | InChI=1S/C33H44N4O5S/c1-3-4-13-31(38)34-15-18-40-20-22-42-23-21-41-19-16-35-32(39)25-37-29-11-7-8-12-30(29)43-33(37)24-26-14-17-36(2)28-10-6-5-9-27(26)28/h5-12,14,17H,3-4,13,15-16,18-25H2,1-2H3,(H,34,38)(H,35,39) | 定義日: | 2019-07-15 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | ~{N}-[2-[2-[2-[2-[2-[2-[(1-methylquinolin-4-yl)methyl]-1,3-benzothiazol-3-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide |
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![LQJ LQJ](https://data.pdbj.org/pdbjplus/data/cc/svg/LQJ.svg) | LQJ | 表記: | 3'-O-[(R)-{[(2S,3aS,4S,6S,6aS)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine | 組成式: | C20 H24 N10 O12 P2 | SMILES: | P(O)(OC3C(CO)OC(n2c1c(c(ncn1)N)nc2)C3O)(=O)OCC6OC(n4cnc5c4ncnc5N)C7C6OP(=O)(O)O7 | InChi: | InChI=1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(32)12(7(1-31)38-19)40-43(33,34)37-2-8-13-14(42-44(35,36)41-13)20(39-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8+,11-,12-,13+,14+,19-,20+/m1/s1 | 定義日: | 2019-03-08 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | 3'-O-[(R)-{[(2S,3aS,4S,6S,6aS)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine |
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![EZZ EZZ](https://data.pdbj.org/pdbjplus/data/cc/svg/EZZ.svg) | EZZ | 表記: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one | 組成式: | C19 H19 N3 O2 | SMILES: | CN(C)Cc1[nH]c2ccccc2c1[CH]3NC(=O)c4ccc(O)cc34 | InChi: | InChI=1S/C19H19N3O2/c1-22(2)10-16-17(13-5-3-4-6-15(13)20-16)18-14-9-11(23)7-8-12(14)19(24)21-18/h3-9,18,20,23H,10H2,1-2H3,(H,21,24)/t18-/m0/s1 | 定義日: | 2018-05-16 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one |
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![F0B F0B](https://data.pdbj.org/pdbjplus/data/cc/svg/F0B.svg) | F0B | 表記: | (3~{S})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one | 組成式: | C33 H28 N4 O2 | SMILES: | Oc1ccc2C(=O)N[CH](c2c1)c3c(CNCc4ccc5ccn(Cc6ccccc6)c5c4)[nH]c7ccccc37 | InChi: | InChI=1S/C33H28N4O2/c38-24-12-13-25-27(17-24)32(36-33(25)39)31-26-8-4-5-9-28(26)35-29(31)19-34-18-22-10-11-23-14-15-37(30(23)16-22)20-21-6-2-1-3-7-21/h1-17,32,34-35,38H,18-20H2,(H,36,39)/t32-/m0/s1 | 定義日: | 2018-05-16 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | (3~{S})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one |
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![F0K F0K](https://data.pdbj.org/pdbjplus/data/cc/svg/F0K.svg) | F0K | 表記: | (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one | 組成式: | C31 H28 N6 O2 | SMILES: | Cn1cnc(Cn2ccc3ccc(CNCc4[nH]c5ccccc5c4[CH]6NC(=O)c7ccc(O)cc67)cc23)c1 | InChi: | InChI=1S/C31H28N6O2/c1-36-16-21(33-18-36)17-37-11-10-20-7-6-19(12-28(20)37)14-32-15-27-29(24-4-2-3-5-26(24)34-27)30-25-13-22(38)8-9-23(25)31(39)35-30/h2-13,16,18,30,32,34,38H,14-15,17H2,1H3,(H,35,39)/t30-/m0/s1 | 定義日: | 2018-05-16 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one |
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![F0N F0N](https://data.pdbj.org/pdbjplus/data/cc/svg/F0N.svg) | F0N | 表記: | (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one | 組成式: | C20 H19 N3 O | SMILES: | O=C1N[CH](c2ccccc12)c3c([nH]c4ccccc34)[CH]5CCCN5 | InChi: | InChI=1S/C20H19N3O/c24-20-13-7-2-1-6-12(13)18(23-20)17-14-8-3-4-9-15(14)22-19(17)16-10-5-11-21-16/h1-4,6-9,16,18,21-22H,5,10-11H2,(H,23,24)/t16-,18+/m1/s1 | 定義日: | 2018-05-16 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one |
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![HVY HVY](https://data.pdbj.org/pdbjplus/data/cc/svg/HVY.svg) | HVY | 表記: | N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide | 組成式: | C32 H35 Cl N8 O2 | SMILES: | CN5CCN(c1ccc(cc1)Nc2nc(c(cn2)C(=O)Nc3c(cccc3C)Cl)Nc4c(cccc4)NC(=O)CC)CC5 | InChi: | InChI=1S/C32H35ClN8O2/c1-4-28(42)36-26-10-5-6-11-27(26)37-30-24(31(43)38-29-21(2)8-7-9-25(29)33)20-34-32(39-30)35-22-12-14-23(15-13-22)41-18-16-40(3)17-19-41/h5-15,20H,4,16-19H2,1-3H3,(H,36,42)(H,38,43)(H2,34,35,37,39) | 定義日: | 2018-07-26 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide |
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![HWJ HWJ](https://data.pdbj.org/pdbjplus/data/cc/svg/HWJ.svg) | HWJ | 表記: | 3-hydroxy-6-[2-methyl-4-(1H-tetrazol-5-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid | 組成式: | C14 H11 N5 O4 | SMILES: | O=C(O)C=1NC(=CC(C=1O)=O)c2ccc(cc2C)c3nnnn3 | InChi: | InChI=1S/C14H11N5O4/c1-6-4-7(13-16-18-19-17-13)2-3-8(6)9-5-10(20)12(21)11(15-9)14(22)23/h2-5,21H,1H3,(H,15,20)(H,22,23)(H,16,17,18,19) | 定義日: | 2018-07-26 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | 3-hydroxy-6-[2-methyl-4-(1H-tetrazol-5-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
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![HWM HWM](https://data.pdbj.org/pdbjplus/data/cc/svg/HWM.svg) | HWM | 表記: | 5-hydroxy-2-methyl-1-[4-(1H-tetrazol-5-yl)phenyl]pyridin-4(1H)-one | 組成式: | C13 H11 N5 O2 | SMILES: | n1nnnc1c2ccc(cc2)N3C(=CC(C(=C3)O)=O)C | InChi: | InChI=1S/C13H11N5O2/c1-8-6-11(19)12(20)7-18(8)10-4-2-9(3-5-10)13-14-16-17-15-13/h2-7,20H,1H3,(H,14,15,16,17) | 定義日: | 2018-07-26 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | 5-hydroxy-2-methyl-1-[4-(1H-tetrazol-5-yl)phenyl]pyridin-4(1H)-one |
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![HWV HWV](https://data.pdbj.org/pdbjplus/data/cc/svg/HWV.svg) | HWV | 表記: | N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | 組成式: | C28 H30 F N3 O4 | SMILES: | N2(C)C=C(c1cc(C(NCC)=O)nc1C2=O)c3cc(C(C)(O)C)ccc3Oc4c(cc(F)cc4C)C | InChi: | InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33) | 定義日: | 2018-07-27 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide |
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![NQM NQM](https://data.pdbj.org/pdbjplus/data/cc/svg/NQM.svg) | NQM | 表記: | (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid | 組成式: | C7 H6 O7 | SMILES: | O=C(C(CC(=C/C(O)=O)C(O)=O)=O)O | InChi: | InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h2H,1H2,(H,9,10)(H,11,12)(H,13,14)/b3-2+ | 定義日: | 2019-05-24 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid |
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![MQM MQM](https://data.pdbj.org/pdbjplus/data/cc/svg/MQM.svg) | MQM | 表記: | 7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine | 組成式: | C18 H18 Cl2 N6 | SMILES: | c42c(cc(c1c(Cl)cccc1Cl)c(n2)N3CC(CC3)CN)cnc(n4)N | InChi: | InChI=1S/C18H18Cl2N6/c19-13-2-1-3-14(20)15(13)12-6-11-8-23-18(22)25-16(11)24-17(12)26-5-4-10(7-21)9-26/h1-3,6,8,10H,4-5,7,9,21H2,(H2,22,23,24,25)/t10-/m0/s1 | 定義日: | 2019-04-11 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | 7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine |
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![MQV MQV](https://data.pdbj.org/pdbjplus/data/cc/svg/MQV.svg) | MQV | 表記: | 7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine | 組成式: | C23 H20 Cl N7 | SMILES: | C2C1C(N)C1CN2c4nc3nc(N)ncc3cc4c5c(Cl)cccc5c6cnccc6 | InChi: | InChI=1S/C23H20ClN7/c24-18-5-1-4-14(12-3-2-6-27-8-12)19(18)15-7-13-9-28-23(26)30-21(13)29-22(15)31-10-16-17(11-31)20(16)25/h1-9,16-17,20H,10-11,25H2,(H2,26,28,29,30)/t16-,17+,20+ | 定義日: | 2019-04-11 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | 7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine |
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![AUO AUO](https://data.pdbj.org/pdbjplus/data/cc/svg/AUO.svg) | AUO | 表記: | (8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid | 組成式: | C38 H60 O18 | SMILES: | OCC1C(O)C(O)C(C(O1)OC2C(C(CO)OC(C2OC3OC(CO)C(C(C3O)O)O)OC76C(=C)/CC5(CCC4C(C(O)=O)(CCCC4(C5CC6)C)C)C7)O)O | InChi: | InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29+,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1 | 定義日: | 2018-11-28 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | (8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid |
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![H9Y H9Y](https://data.pdbj.org/pdbjplus/data/cc/svg/H9Y.svg) | H9Y | 表記: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile | 組成式: | C21 H14 F2 N4 O4 | SMILES: | N#Cc2cc1c(cc(cn1c2)F)Oc3ccc(cc3OCCN4C(NC(=O)C=C4)=O)F | InChi: | InChI=1S/C21H14F2N4O4/c22-14-1-2-17(19(8-14)30-6-5-26-4-3-20(28)25-21(26)29)31-18-9-15(23)12-27-11-13(10-24)7-16(18)27/h1-4,7-9,11-12H,5-6H2,(H,25,28,29) | 定義日: | 2018-06-20 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile |
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![JJN JJN](https://data.pdbj.org/pdbjplus/data/cc/svg/JJN.svg) | JJN | 表記: | (6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one | 組成式: | C22 H25 N3 O | SMILES: | CN1CCC(C)(CC1)[C]23NC(=O)c4ccccc4[CH]2c5ccccc5N3 | InChi: | InChI=1S/C22H25N3O/c1-21(11-13-25(2)14-12-21)22-19(17-9-5-6-10-18(17)23-22)15-7-3-4-8-16(15)20(26)24-22/h3-10,19,23H,11-14H2,1-2H3,(H,24,26)/t19-,22+/m0/s1 | 定義日: | 2019-02-28 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | (6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one |
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![JJQ JJQ](https://data.pdbj.org/pdbjplus/data/cc/svg/JJQ.svg) | JJQ | 表記: | (3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole | 組成式: | C14 H20 N2 | SMILES: | CC1(C)C[C]2(C)c3ccccc3N[C]2(C)N1 | InChi: | InChI=1S/C14H20N2/c1-12(2)9-13(3)10-7-5-6-8-11(10)15-14(13,4)16-12/h5-8,15-16H,9H2,1-4H3/t13-,14-/m0/s1 | 定義日: | 2019-02-28 | 最終更新日: | 2019-07-26 | 公開日: | 2019-07-31 | 識別子(ID): | (3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole |
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![KVS KVS](https://data.pdbj.org/pdbjplus/data/cc/svg/KVS.svg) | KVS | 表記: | N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide | 組成式: | C36 H68 N10 O10 | SMILES: | C(=O)(C)NC(C(NC(C(=O)NC(C(O)(CC(C(NC(C(NC(C(N)=O)CCCN/C(N)=N)=O)CCC(N)=O)=O)CCCC)O)CCCC)C(C)CC)=O)C(C)O | InChi: | InChI=1S/C36H68N10O10/c1-7-10-13-23(31(51)44-25(16-17-27(37)49)32(52)43-24(30(38)50)14-12-18-41-35(39)40)19-36(55,56)26(15-11-8-2)45-33(53)28(20(4)9-3)46-34(54)29(21(5)47)42-22(6)48/h20-21,23-26,28-29,47,55-56H,7-19H2,1-6H3,(H2,37,49)(H2,38,50)(H,42,48)(H,43,52)(H,44,51)(H,45,53)(H,46,54)(H4,39,40,41)/t20-,21+,23+,24-,25-,26-,28-,29-/m0/s1 | 定義日: | 2011-01-13 | 最終更新日: | 2019-07-25 | 識別子(ID): | (2S)-2-{[(2R,5S)-5-{[(2S,3S)-2-{[(2S,3R)-2-(acetylamino)-3-hydroxybutanoyl]amino}-3-methylpentanoyl]amino}-2-butyl-4,4-dihydroxynonanoyl]amino}-N~1~-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide (non-preferred name) |
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![64P 64P](https://data.pdbj.org/pdbjplus/data/cc/svg/64P.svg) | 64P | 表記: | 5-aminothymidine 5'-(dihydrogen phosphate) | 組成式: | C10 H18 N3 O8 P | SMILES: | O=C1N(CC(C(=O)N1)(N)C)C2OC(C(O)C2)COP(=O)(O)O | InChi: | InChI=1S/C10H18N3O8P/c1-10(11)4-13(9(16)12-8(10)15)7-2-5(14)6(21-7)3-20-22(17,18)19/h5-7,14H,2-4,11H2,1H3,(H,12,15,16)(H2,17,18,19)/t5-,6+,7+,10+/m0/s1 | 定義日: | 2009-03-04 | 最終更新日: | 2019-07-24 | 識別子(ID): | 5-aminothymidine 5'-(dihydrogen phosphate) |
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![L8Y L8Y](https://data.pdbj.org/pdbjplus/data/cc/svg/L8Y.svg) | L8Y | 表記: | 4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide | 組成式: | C19 H17 F N6 O2 | SMILES: | c1cc(cnc1Nc2ncc(c(c2)Nc3c(cccc3)C(=O)N)C(NC)=O)F | InChi: | InChI=1S/C19H17FN6O2/c1-22-19(28)13-10-24-17(26-16-7-6-11(20)9-23-16)8-15(13)25-14-5-3-2-4-12(14)18(21)27/h2-10H,1H3,(H2,21,27)(H,22,28)(H2,23,24,25,26) | 定義日: | 2019-02-14 | 最終更新日: | 2019-07-19 | 公開日: | 2019-07-24 | 識別子(ID): | 4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide |
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