![7RM 7RM](https://data.pdbj.org/pdbjplus/data/cc/svg/7RM.svg) | 7RM | 表記: | 5'-O-(acetylsulfamoyl)adenosine | 組成式: | C12 H16 N6 O7 S | SMILES: | CC(NS(=O)(=O)OCC3C(O)C(O)C(n2cnc1c2ncnc1N)O3)=O | InChi: | InChI=1S/C12H16N6O7S/c1-5(19)17-26(22,23)24-2-6-8(20)9(21)12(25-6)18-4-16-7-10(13)14-3-15-11(7)18/h3-4,6,8-9,12,20-21H,2H2,1H3,(H,17,19)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 | 定義日: | 2016-12-01 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | 5'-O-(acetylsulfamoyl)adenosine |
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![7YU 7YU](https://data.pdbj.org/pdbjplus/data/cc/svg/7YU.svg) | 7YU | 表記: | (+)-Yatakemycin | 組成式: | C35 H29 N5 O8 S | SMILES: | COc1cc2[nH]c(cc2cc1O)C(=O)N3C[CH]4C[C]45C3=CC(=O)c6[nH]c(cc56)C(=O)N7CCc8c9cc([nH]c9c(OC)c(O)c78)C(=O)SC | InChi: | InChI=1S/C35H29N5O8S/c1-47-25-10-19-14(7-23(25)41)6-20(36-19)33(45)40-13-15-12-35(15)18-9-21(37-28(18)24(42)11-26(35)40)32(44)39-5-4-16-17-8-22(34(46)49-3)38-27(17)31(48-2)30(43)29(16)39/h6-11,15,36-38,41,43H,4-5,12-13H2,1-3H3/t15-,35-/m1/s1 | 定義日: | 2017-02-21 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 |
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![8V5 8V5](https://data.pdbj.org/pdbjplus/data/cc/svg/8V5.svg) | 8V5 | 表記: | 5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide | 組成式: | C12 H13 N3 O5 S2 | SMILES: | N[S](=O)(=O)c1sc(cc1)c2oc(nc2)C(=O)N3CCOCC3 | InChi: | InChI=1S/C12H13N3O5S2/c13-22(17,18)10-2-1-9(21-10)8-7-14-11(20-8)12(16)15-3-5-19-6-4-15/h1-2,7H,3-6H2,(H2,13,17,18) | 定義日: | 2017-03-10 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | 5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide |
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![8V8 8V8](https://data.pdbj.org/pdbjplus/data/cc/svg/8V8.svg) | 8V8 | 表記: | 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide | 組成式: | C10 H10 N2 O3 S | SMILES: | Cc1oc(cn1)c2ccc(cc2)[S](N)(=O)=O | InChi: | InChI=1S/C10H10N2O3S/c1-7-12-6-10(15-7)8-2-4-9(5-3-8)16(11,13)14/h2-6H,1H3,(H2,11,13,14) | 定義日: | 2017-03-10 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide |
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![8Y4 8Y4](https://data.pdbj.org/pdbjplus/data/cc/svg/8Y4.svg) | 8Y4 | 表記: | 2-[(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide | 組成式: | C14 H14 N6 O2 S | SMILES: | c1ccc(cc1)NC(=O)CSc3nc2C(=O)NC(=Nc2n3C)N | InChi: | InChI=1S/C14H14N6O2S/c1-20-11-10(12(22)19-13(15)18-11)17-14(20)23-7-9(21)16-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,16,21)(H3,15,18,19,22) | 定義日: | 2017-03-20 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | 2-[(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide |
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![8Y7 8Y7](https://data.pdbj.org/pdbjplus/data/cc/svg/8Y7.svg) | 8Y7 | 表記: | [(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid | 組成式: | C8 H9 N5 O3 S | SMILES: | c21nc(n(c1N=C(NC2=O)N)C)SCC(O)=O | InChi: | InChI=1S/C8H9N5O3S/c1-13-5-4(6(16)12-7(9)11-5)10-8(13)17-2-3(14)15/h2H2,1H3,(H,14,15)(H3,9,11,12,16) | 定義日: | 2017-03-20 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | [(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid |
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![8YQ 8YQ](https://data.pdbj.org/pdbjplus/data/cc/svg/8YQ.svg) | 8YQ | 表記: | (2~{R},3~{R},5~{R})-2-[[2-[[3-(aminomethyl)phenyl]methoxy]-4-[[3-(1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-chloranyl-phenyl]methyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid | 組成式: | C36 H35 Cl N2 O7 | SMILES: | Cc1c(COc2cc(OCc3cccc(CN)c3)c(C[CH]4N[CH](O)C[CH]4C(O)=O)cc2Cl)cccc1c5ccc6OC=COc6c5 | InChi: | InChI=1S/C36H35ClN2O7/c1-21-25(6-3-7-27(21)24-8-9-31-34(15-24)44-11-10-43-31)20-46-33-17-32(45-19-23-5-2-4-22(12-23)18-38)26(13-29(33)37)14-30-28(36(41)42)16-35(40)39-30/h2-13,15,17,28,30,35,39-40H,14,16,18-20,38H2,1H3,(H,41,42)/t28-,30-,35-/m1/s1 | 定義日: | 2017-03-27 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | (2~{R},3~{R},5~{R})-2-[[2-[[3-(aminomethyl)phenyl]methoxy]-4-[[3-(1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-chloranyl-phenyl]methyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid |
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![8YZ 8YZ](https://data.pdbj.org/pdbjplus/data/cc/svg/8YZ.svg) | 8YZ | 表記: | (2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid | 組成式: | C35 H34 N2 O7 | SMILES: | Cc1cc(CN[CH](CO)C(O)=O)c(OCc2cccc(c2)C#N)cc1OCc3cccc(c3C)c4ccc5OCCOc5c4 | InChi: | InChI=1S/C35H34N2O7/c1-22-13-28(18-37-30(19-38)35(39)40)33(43-20-25-6-3-5-24(14-25)17-36)16-32(22)44-21-27-7-4-8-29(23(27)2)26-9-10-31-34(15-26)42-12-11-41-31/h3-10,13-16,30,37-38H,11-12,18-21H2,1-2H3,(H,39,40)/t30-/m1/s1 | 定義日: | 2017-03-28 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | (2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid |
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![RCH RCH](https://data.pdbj.org/pdbjplus/data/cc/svg/RCH.svg) | RCH | 表記: | N-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide | 組成式: | C32 H31 N3 O5 S | SMILES: | Cc1cc(cc(n1)C#Cc2ccc3c(oc4c3C(=O)c5ccc(N[S](C)(=O)=O)cc5C4(C)C)c2)C(=O)NC(C)(C)C | InChi: | InChI=1S/C32H31N3O5S/c1-18-14-20(30(37)34-31(2,3)4)16-21(33-18)10-8-19-9-12-24-26(15-19)40-29-27(24)28(36)23-13-11-22(35-41(7,38)39)17-25(23)32(29,5)6/h9,11-17,35H,1-7H3,(H,34,37) | 定義日: | 2016-12-06 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | ~{N}-~{tert}-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide |
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![6G7 6G7](https://data.pdbj.org/pdbjplus/data/cc/svg/6G7.svg) | 6G7 | 表記: | 5-(2,4-dihydroxyphenyl)-4-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one | 組成式: | C14 H10 F N3 O3 | SMILES: | c3(cc(O)c(C=1N(C(=O)NN=1)c2c(F)cccc2)cc3)O | InChi: | InChI=1S/C14H10FN3O3/c15-10-3-1-2-4-11(10)18-13(16-17-14(18)21)9-6-5-8(19)7-12(9)20/h1-7,19-20H,(H,17,21) | 定義日: | 2016-04-05 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | 5-(2,4-dihydroxyphenyl)-4-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
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![6GC 6GC](https://data.pdbj.org/pdbjplus/data/cc/svg/6GC.svg) | 6GC | 表記: | N-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide | 組成式: | C20 H21 F N4 O4 | SMILES: | c1c(c(F)ccc1)N2C(=NNC2=O)c3c(cc(c(c3)C(N(C)CCCC)=O)O)O | InChi: | InChI=1S/C20H21FN4O4/c1-3-4-9-24(2)19(28)13-10-12(16(26)11-17(13)27)18-22-23-20(29)25(18)15-8-6-5-7-14(15)21/h5-8,10-11,26-27H,3-4,9H2,1-2H3,(H,23,29) | 定義日: | 2016-04-05 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | N-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide |
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![6GV 6GV](https://data.pdbj.org/pdbjplus/data/cc/svg/6GV.svg) | 6GV | 表記: | 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-(propan-2-yl)benzene-1-sulfonamide | 組成式: | C18 H19 F N4 O5 S | SMILES: | c3(O)cc(c(C1=NNC(N1c2ccccc2F)=O)cc3S(=O)(=O)N(C)C(C)C)O | InChi: | InChI=1S/C18H19FN4O5S/c1-10(2)22(3)29(27,28)16-8-11(14(24)9-15(16)25)17-20-21-18(26)23(17)13-7-5-4-6-12(13)19/h4-10,24-25H,1-3H3,(H,21,26) | 定義日: | 2016-04-07 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-(propan-2-yl)benzene-1-sulfonamide |
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![6GW 6GW](https://data.pdbj.org/pdbjplus/data/cc/svg/6GW.svg) | 6GW | 表記: | 2,4-dihydroxy-N-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(thiophen-2-yl)methyl]benzamide | 組成式: | C22 H20 N4 O4 S | SMILES: | c1c(c(C)ccc1)N2C(=NNC2=O)c3c(cc(c(c3)C(N(Cc4cccs4)C)=O)O)O | InChi: | InChI=1S/C22H20N4O4S/c1-13-6-3-4-8-17(13)26-20(23-24-22(26)30)15-10-16(19(28)11-18(15)27)21(29)25(2)12-14-7-5-9-31-14/h3-11,27-28H,12H2,1-2H3,(H,24,30) | 定義日: | 2016-04-07 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | 2,4-dihydroxy-N-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(thiophen-2-yl)methyl]benzamide |
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![6QX 6QX](https://data.pdbj.org/pdbjplus/data/cc/svg/6QX.svg) | 6QX | 表記: | ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine | 組成式: | C17 H24 N4 S | SMILES: | CN(C)[CH]1CC[CH](CC1)Nc2ncnc3sc4CCCc4c23 | InChi: | InChI=1S/C17H24N4S/c1-21(2)12-8-6-11(7-9-12)20-16-15-13-4-3-5-14(13)22-17(15)19-10-18-16/h10-12H,3-9H2,1-2H3,(H,18,19,20)/t11-,12- | 定義日: | 2016-05-26 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine |
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![6QY 6QY](https://data.pdbj.org/pdbjplus/data/cc/svg/6QY.svg) | 6QY | 表記: | ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine | 組成式: | C19 H29 N5 O | SMILES: | CN(C)[CH]1CC[CH](CC1)Nc2ncnc3[nH]cc(C4CCOCC4)c23 | InChi: | InChI=1S/C19H29N5O/c1-24(2)15-5-3-14(4-6-15)23-19-17-16(13-7-9-25-10-8-13)11-20-18(17)21-12-22-19/h11-15H,3-10H2,1-2H3,(H2,20,21,22,23)/t14-,15- | 定義日: | 2016-05-26 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine |
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![6QZ 6QZ](https://data.pdbj.org/pdbjplus/data/cc/svg/6QZ.svg) | 6QZ | 表記: | (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one | 組成式: | C25 H36 N6 O2 | SMILES: | CN1[CH]2CCN(C[CH]2CC1=O)[CH]3CC[CH](CC3)Nc4ncnc5[nH]cc(C6CCOCC6)c45 | InChi: | InChI=1S/C25H36N6O2/c1-30-21-6-9-31(14-17(21)12-22(30)32)19-4-2-18(3-5-19)29-25-23-20(16-7-10-33-11-8-16)13-26-24(23)27-15-28-25/h13,15-19,21H,2-12,14H2,1H3,(H2,26,27,28,29)/t17-,18-,19-,21+/m1/s1 | 定義日: | 2016-05-26 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one |
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![6R0 6R0](https://data.pdbj.org/pdbjplus/data/cc/svg/6R0.svg) | 6R0 | 表記: | (3~{a}~{S},7~{a}~{R})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one | 組成式: | C25 H36 N6 O2 | SMILES: | CN1[CH]2CCN(C[CH]2CC1=O)[CH]3CC[CH](CC3)Nc4ncnc5[nH]cc(C6CCOCC6)c45 | InChi: | InChI=1S/C25H36N6O2/c1-30-21-6-9-31(14-17(21)12-22(30)32)19-4-2-18(3-5-19)29-25-23-20(16-7-10-33-11-8-16)13-26-24(23)27-15-28-25/h13,15-19,21H,2-12,14H2,1H3,(H2,26,27,28,29)/t17-,18-,19-,21+/m0/s1 | 定義日: | 2016-05-26 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | (3~{a}~{S},7~{a}~{R})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one |
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![6R1 6R1](https://data.pdbj.org/pdbjplus/data/cc/svg/6R1.svg) | 6R1 | 表記: | ~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | 組成式: | C21 H31 N5 O2 | SMILES: | C1CC(CCO1)c2c[nH]c3ncnc(N[CH]4CC[CH](CC4)N5CCOCC5)c23 | InChi: | InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17- | 定義日: | 2016-05-26 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | ~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
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![9GM 9GM](https://data.pdbj.org/pdbjplus/data/cc/svg/9GM.svg) | 9GM | 表記: | 2-amino-9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-L-xylofuranosyl}-1,9-dihydro-6H-purin-6-one | 組成式: | C10 H17 N6 O13 P3 | SMILES: | C2(=Nc1n(cnc1C(=O)N2)C3OC(C(O)C3O)COP(=O)(OP(O)(=O)NP(O)(=O)O)O)N | InChi: | InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5+,6-,9+/m0/s1 | 定義日: | 2017-05-10 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | 2-amino-9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-L-xylofuranosyl}-1,9-dihydro-6H-purin-6-one |
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![9O4 9O4](https://data.pdbj.org/pdbjplus/data/cc/svg/9O4.svg) | 9O4 | 表記: | (3R,5R)-5-(6-amino-9H-purin-9-yl)oxolan-3-yl dihydrogen phosphate | 組成式: | C9 H12 N5 O5 P | SMILES: | c3nc1c(ncn1C2CC(OP(O)(=O)O)CO2)c(N)n3 | InChi: | InChI=1S/C9H12N5O5P/c10-8-7-9(12-3-11-8)14(4-13-7)6-1-5(2-18-6)19-20(15,16)17/h3-6H,1-2H2,(H2,10,11,12)(H2,15,16,17)/t5-,6-/m1/s1 | 定義日: | 2017-05-19 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | (3R,5R)-5-(6-amino-9H-purin-9-yl)oxolan-3-yl dihydrogen phosphate |
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![9O7 9O7](https://data.pdbj.org/pdbjplus/data/cc/svg/9O7.svg) | 9O7 | 表記: | [(3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate | 組成式: | C9 H14 N5 O12 P3 | SMILES: | Nc1ncnc2n(cnc12)[CH]3OC[CH](O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH]3O | InChi: | InChI=1S/C9H14N5O12P3/c10-7-5-8(12-2-11-7)14(3-13-5)9-6(15)4(1-23-9)24-28(19,20)26-29(21,22)25-27(16,17)18/h2-4,6,9,15H,1H2,(H,19,20)(H,21,22)(H2,10,11,12)(H2,16,17,18)/t4-,6+,9+/m0/s1 | 定義日: | 2017-05-19 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | [(3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate |
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![A0V A0V](https://data.pdbj.org/pdbjplus/data/cc/svg/A0V.svg) | A0V | 表記: | 1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid | 組成式: | C4 H7 B N3 O7 P | SMILES: | C(B(OP(O)(O)=O)O)n1nnc(c1)C(O)=O | InChi: | InChI=1S/C4H7BN3O7P/c9-4(10)3-1-8(7-6-3)2-5(11)15-16(12,13)14/h1,11H,2H2,(H,9,10)(H2,12,13,14) | 定義日: | 2017-07-05 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | 1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid |
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![A0Y A0Y](https://data.pdbj.org/pdbjplus/data/cc/svg/A0Y.svg) | A0Y | 表記: | phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid | 組成式: | C9 H10 B F3 N5 O7 P S | SMILES: | OB(CN[S](=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)O[P](O)(O)=O | InChi: | InChI=1S/C9H10BF3N5O7PS/c11-9(12,13)6-3-5(8-15-17-18-16-8)1-2-7(6)27(23,24)14-4-10(19)25-26(20,21)22/h1-3,14,19H,4H2,(H2,20,21,22)(H,15,16,17,18) | 定義日: | 2017-07-05 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid |
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![A1J A1J](https://data.pdbj.org/pdbjplus/data/cc/svg/A1J.svg) | A1J | 表記: | 3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid | 組成式: | C9 H13 B N O9 P S | SMILES: | c1ccc(CS(=O)(NCB(OP(O)(O)=O)O)=O)cc1C(O)=O | InChi: | InChI=1S/C9H13BNO9PS/c12-9(13)8-3-1-2-7(4-8)5-22(18,19)11-6-10(14)20-21(15,16)17/h1-4,11,14H,5-6H2,(H,12,13)(H2,15,16,17) | 定義日: | 2017-07-05 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | 3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid |
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![A1M A1M](https://data.pdbj.org/pdbjplus/data/cc/svg/A1M.svg) | A1M | 表記: | phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid | 組成式: | C8 H11 B N5 O7 P S | SMILES: | OB(CN[S](=O)(=O)c1ccc(cc1)c2[nH]nnn2)O[P](O)(O)=O | InChi: | InChI=1S/C8H11BN5O7PS/c15-9(21-22(16,17)18)5-10-23(19,20)7-3-1-6(2-4-7)8-11-13-14-12-8/h1-4,10,15H,5H2,(H2,16,17,18)(H,11,12,13,14) | 定義日: | 2017-07-05 | 最終更新日: | 2017-12-01 | 公開日: | 2017-12-06 | 識別子(ID): | phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid |
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