![U6D U6D](https://data.pdbj.org/pdbjplus/data/cc/svg/U6D.svg) | U6D | 表記: | (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline | 組成式: | C28 H33 F4 N3 O | SMILES: | C5c1c(nc2c1cccc2)C(c4c(cc(OCCN3CC(CF)C3)cc4F)F)N(CC(F)(C)C)C5C | InChi: | InChI=1S/C28H33F4N3O/c1-17-10-21-20-6-4-5-7-24(20)33-26(21)27(35(17)16-28(2,3)32)25-22(30)11-19(12-23(25)31)36-9-8-34-14-18(13-29)15-34/h4-7,11-12,17-18,27,33H,8-10,13-16H2,1-3H3/t17-,27-/m1/s1 | 定義日: | 2020-04-27 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline |
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![MZV MZV](https://data.pdbj.org/pdbjplus/data/cc/svg/MZV.svg) | MZV | 表記: | 3-(pyridin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide | 組成式: | C20 H13 F3 N6 O | SMILES: | c3(cc(cc(C(Nc2cc(c1nnnn1)ccc2)=O)c3)C(F)(F)F)c4ncccc4 | InChi: | InChI=1S/C20H13F3N6O/c21-20(22,23)15-9-13(17-6-1-2-7-24-17)8-14(10-15)19(30)25-16-5-3-4-12(11-16)18-26-28-29-27-18/h1-11H,(H,25,30)(H,26,27,28,29) | 定義日: | 2019-04-24 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | 3-(pyridin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide |
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![R6Z R6Z](https://data.pdbj.org/pdbjplus/data/cc/svg/R6Z.svg) | R6Z | 表記: | 3-(1H-tetrazol-5-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide | 組成式: | C16 H10 F3 N9 O | SMILES: | C(=O)(c1cc(C(F)(F)F)cc(c1)c2nnnn2)Nc3cccc(c3)c4nnnn4 | InChi: | InChI=1S/C16H10F3N9O/c17-16(18,19)11-5-9(14-23-27-28-24-14)4-10(6-11)15(29)20-12-3-1-2-8(7-12)13-21-25-26-22-13/h1-7H,(H,20,29)(H,21,22,25,26)(H,23,24,27,28) | 定義日: | 2019-04-24 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | 3-(1H-tetrazol-5-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide |
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![G4P G4P](https://data.pdbj.org/pdbjplus/data/cc/svg/G4P.svg) | G4P | 表記: | GUANOSINE-5',3'-TETRAPHOSPHATE | 組成式: | C10 H17 N5 O17 P4 | SMILES: | O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3OP(=O)(O)OP(=O)(O)O | InChi: | InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 | 別名: | guanosine tetraphosphate | 定義日: | 2002-05-16 | 最終更新日: | 2020-06-24 | 識別子(ID): | guanosine 3',5'-bis(trihydrogen diphosphate) |
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![8YV 8YV](https://data.pdbj.org/pdbjplus/data/cc/svg/8YV.svg) | 8YV | 表記: | 2-keto-D-gluconic acid | 組成式: | C6 H10 O7 | SMILES: | C(C(CO)O)(O)C(C(C(=O)O)=O)O | InChi: | InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3-,4+/m1/s1 | 別名: | (3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid | 定義日: | 2017-03-21 | 最終更新日: | 2020-06-24 | 公開日: | 2017-03-29 | 識別子(ID): | D-fructosonic acid |
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![LFC LFC](https://data.pdbj.org/pdbjplus/data/cc/svg/LFC.svg) | LFC | 表記: | 6-deoxy-L-galactonic acid | 組成式: | C6 H12 O6 | SMILES: | O=C(O)C(O)C(O)C(O)C(O)C | InChi: | InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3+,4+,5-/m0/s1 | 定義日: | 2006-08-04 | 最終更新日: | 2020-06-24 | 識別子(ID): | 6-deoxy-L-galactonic acid |
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![LAI LAI](https://data.pdbj.org/pdbjplus/data/cc/svg/LAI.svg) | LAI | 表記: | L-arabinose | 組成式: | C5 H10 O5 | SMILES: | OCC(C(C(C=O)O)O)O | InChi: | InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m0/s1 | 定義日: | 2010-01-27 | 最終更新日: | 2020-06-24 | 識別子(ID): | L-arabinose |
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![QDK QDK](https://data.pdbj.org/pdbjplus/data/cc/svg/QDK.svg) | QDK | 表記: | L-ribulose | 組成式: | C5 H10 O5 | SMILES: | O=C(CO)C(O)C(O)CO | InChi: | InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m0/s1 | 定義日: | 2011-01-25 | 最終更新日: | 2020-06-24 | 識別子(ID): | L-ribulose |
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![RB5 RB5](https://data.pdbj.org/pdbjplus/data/cc/svg/RB5.svg) | RB5 | 表記: | D-ribose | 組成式: | C5 H10 O5 | SMILES: | O=CC(O)C(O)C(O)CO | InChi: | InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5-/m0/s1 | 定義日: | 2010-06-21 | 最終更新日: | 2020-06-24 | 識別子(ID): | D-ribose |
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![RBL RBL](https://data.pdbj.org/pdbjplus/data/cc/svg/RBL.svg) | RBL | 表記: | D-ribulose | 組成式: | C5 H10 O5 | SMILES: | O=C(CO)C(O)C(O)CO | InChi: | InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m1/s1 | 定義日: | 2009-01-26 | 最終更新日: | 2020-06-24 | 公開日: | 2013-11-27 | 識別子(ID): | D-ribulose |
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![REL REL](https://data.pdbj.org/pdbjplus/data/cc/svg/REL.svg) | REL | 表記: | D-glucuronic acid | 組成式: | C6 H10 O7 | SMILES: | O=C(O)C(O)C(O)C(O)C(O)C=O | InChi: | InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5-/m0/s1 | 別名: | D-Glucuronate | 定義日: | 2009-05-26 | 最終更新日: | 2020-06-24 | 識別子(ID): | D-glucuronic acid |
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![ROR ROR](https://data.pdbj.org/pdbjplus/data/cc/svg/ROR.svg) | ROR | 表記: | L-ribose | 組成式: | C5 H10 O5 | SMILES: | O=CC(O)C(O)C(O)CO | InChi: | InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5-/m1/s1 | 定義日: | 2013-12-10 | 最終更新日: | 2020-06-24 | 公開日: | 2014-05-28 | 識別子(ID): | L-ribose |
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![AR4 AR4](https://data.pdbj.org/pdbjplus/data/cc/svg/AR4.svg) | AR4 | 表記: | 2-azanyl-5-[3-fluoranyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-oxidanylidene-pentanoic acid | 組成式: | C10 H16 F N O8 | SMILES: | O=C(OC1OC(C(O)C1(F)O)CO)CCC(C(=O)O)N | InChi: | InChI=1S/C10H16FNO8/c11-10(18)7(15)5(3-13)19-9(10)20-6(14)2-1-4(12)8(16)17/h4-5,7,9,13,15,18H,1-3,12H2,(H,16,17)/t4-,5+,7+,9+,10+/m0/s1 | 別名: | MODIFIED RIBOSYLATED GLUTAMYL ESTER | 定義日: | 2004-02-16 | 最終更新日: | 2020-06-21 | 識別子(ID): | (2S)-2-amino-5-{[(2R,3S,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy}-5-oxopentanoic acid (non-preferred name) |
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![UO7 UO7](https://data.pdbj.org/pdbjplus/data/cc/svg/UO7.svg) | UO7 | 表記: | (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone | 組成式: | C28 H35 N5 O5 | SMILES: | C(C)(C)C1C(=O)NC(C(=O)N4CCCC(C(=O)OC(c3cc2cc(C=CCC(N1)=O)ncc2cc3)C)N4)C | InChi: | InChI=1S/C28H35N5O5/c1-16(2)25-26(35)30-17(3)27(36)33-12-6-8-23(32-33)28(37)38-18(4)19-10-11-20-15-29-22(14-21(20)13-19)7-5-9-24(34)31-25/h5,7,10-11,13-18,23,25,32H,6,8-9,12H2,1-4H3,(H,30,35)(H,31,34)/b7-5+/t17-,18+,23-,25-/m0/s1 | 定義日: | 2020-05-26 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (non-preferred name) |
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![UOD UOD](https://data.pdbj.org/pdbjplus/data/cc/svg/UOD.svg) | UOD | 表記: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone | 組成式: | C30 H39 N5 O5 | SMILES: | c1cc2nc4c1ccc(C=CC(C(=O)NC(C(NC(C(N3CCCC(C(OC2C)=O)N3)=O)C)=O)C(C)C)(C)C)c4 | InChi: | InChI=1S/C30H39N5O5/c1-17(2)25-26(36)31-18(3)27(37)35-15-7-8-23(34-35)28(38)40-19(4)22-12-11-21-10-9-20(16-24(21)32-22)13-14-30(5,6)29(39)33-25/h9-14,16-19,23,25,34H,7-8,15H2,1-6H3,(H,31,36)(H,33,39)/b14-13+/t18-,19+,23-,25-/m0/s1 | 定義日: | 2020-05-26 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (non-preferred name) |
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![UOG UOG](https://data.pdbj.org/pdbjplus/data/cc/svg/UOG.svg) | UOG | 表記: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone | 組成式: | C30 H39 N5 O5 | SMILES: | C1(NC(C)c4ccc3c(cc(C=CC(C(=O)OC(C(NC(C(N2CCCC1N2)=O)C)=O)C(C)C)(C)C)cc3)n4)=O | InChi: | InChI=1S/C30H39N5O5/c1-17(2)25-27(37)32-19(4)28(38)35-15-7-8-23(34-35)26(36)31-18(3)22-12-11-21-10-9-20(16-24(21)33-22)13-14-30(5,6)29(39)40-25/h9-14,16-19,23,25,34H,7-8,15H2,1-6H3,(H,31,36)(H,32,37)/b14-13+/t18-,19+,23+,25+/m1/s1 | 定義日: | 2020-05-26 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (non-preferred name) |
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![UOJ UOJ](https://data.pdbj.org/pdbjplus/data/cc/svg/UOJ.svg) | UOJ | 表記: | (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone | 組成式: | C31 H39 N5 O5 | SMILES: | C5(C1C(NC(C(N4CCCC(C(NC(c3ccc2c(cc(C=CC(C(=O)O1)(C)C)cc2)n3)C)=O)N4)=O)C)=O)CCC5 | InChi: | InChI=1S/C31H39N5O5/c1-18-23-13-12-21-11-10-20(17-25(21)34-23)14-15-31(3,4)30(40)41-26(22-7-5-8-22)28(38)33-19(2)29(39)36-16-6-9-24(35-36)27(37)32-18/h10-15,17-19,22,24,26,35H,5-9,16H2,1-4H3,(H,32,37)(H,33,38)/b15-14+/t18-,19+,24+,26+/m1/s1 | 定義日: | 2020-05-26 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (non-preferred name) |
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![D4R D4R](https://data.pdbj.org/pdbjplus/data/cc/svg/D4R.svg) | D4R | 表記: | (4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline | 組成式: | C19 H21 N O3 | SMILES: | COC1=CC=C2[CH]3Cc4ccc(OC)c5O[CH]1[C]2(CCN3C)c45 | InChi: | InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1 | 別名: | Thebaine | 定義日: | 2019-06-27 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | (4~{R},7~{a}~{R},12~{b}~{S})-7,9-dimethoxy-3-methyl-2,4,7~{a},13-tetrahydro-1~{H}-4,12-methanobenzofuro[3,2-e]isoquinoline |
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![OZK OZK](https://data.pdbj.org/pdbjplus/data/cc/svg/OZK.svg) | OZK | 表記: | 3-azanyl-3-methyl-~{N}-[(3~{R})-4-oxidanylidene-5-[[4-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide | 組成式: | C28 H29 N7 O3 | SMILES: | CC(C)(N)CC(=O)N[CH]1COc2ccccc2N(Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C1=O | InChi: | InChI=1S/C28H29N7O3/c1-28(2,29)15-25(36)30-22-17-38-24-10-6-5-9-23(24)35(27(22)37)16-18-11-13-19(14-12-18)20-7-3-4-8-21(20)26-31-33-34-32-26/h3-14,22H,15-17,29H2,1-2H3,(H,30,36)(H,31,32,33,34)/t22-/m1/s1 | 定義日: | 2020-04-12 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | 3-azanyl-3-methyl-~{N}-[(3~{R})-4-oxidanylidene-5-[[4-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide |
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![YZS YZS](https://data.pdbj.org/pdbjplus/data/cc/svg/YZS.svg) | YZS | 表記: | (2S)-sulfonatepropionyl-amino(dethia)-CoA | 組成式: | C24 H41 N8 O20 P3 S | SMILES: | O=P(OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(NCCNC(=O)C(S(O)(=O)=O)C)=O)(=O)O)(O)O | InChi: | InChI=1S/C24H41N8O20P3S/c1-12(56(45,46)47)21(36)28-7-6-26-14(33)4-5-27-22(37)18(35)24(2,3)9-49-55(43,44)52-54(41,42)48-8-13-17(51-53(38,39)40)16(34)23(50-13)32-11-31-15-19(25)29-10-30-20(15)32/h10-13,16-18,23,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,37)(H,28,36)(H,41,42)(H,43,44)(H2,25,29,30)(H2,38,39,40)(H,45,46,47)/t12-,13+,16+,17+,18-,23+/m0/s1 | 別名: | (2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]me
thoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-
1-oxidanylidene-propane-2-sulfonic acid | 定義日: | 2019-02-25 | 最終更新日: | 2020-06-17 | 公開日: | 2019-04-10 | 識別子(ID): | (3S,5R,9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-11,15,18-triaza-3,5-diphosphahenicosane-20-sulfonic acid 3,5-dioxide (non-preferred name) |
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![HAG HAG](https://data.pdbj.org/pdbjplus/data/cc/svg/HAG.svg) | HAG | 表記: | 4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO-FURAN-2-OL | 組成式: | C19 H33 N3 O8 S | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC1C(OC(O)C1)CCCCC | InChi: | InChI=1S/C19H33N3O8S/c1-2-3-4-5-13-14(8-17(26)30-13)31-10-12(18(27)21-9-16(24)25)22-15(23)7-6-11(20)19(28)29/h11-14,17,26H,2-10,20H2,1H3,(H,21,27)(H,22,23)(H,24,25)(H,28,29)/t11-,12-,13+,14-,17+/m0/s1 | 別名: | GSHNA | 定義日: | 1999-07-27 | 最終更新日: | 2020-06-17 | 識別子(ID): | L-gamma-glutamyl-S-[(2R,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]-L-cysteinylglycine |
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![VAK VAK](https://data.pdbj.org/pdbjplus/data/cc/svg/VAK.svg) | VAK | 表記: | methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate | 組成式: | C22 H20 O8 | SMILES: | O=C(OC)C4c2c(c(O)c1C(=O)c3c(C(=O)c1c2)cccc3O)C(O)CC4(O)CC | InChi: | InChI=1S/C22H20O8/c1-3-22(29)8-13(24)15-10(17(22)21(28)30-2)7-11-16(20(15)27)19(26)14-9(18(11)25)5-4-6-12(14)23/h4-7,13,17,23-24,27,29H,3,8H2,1-2H3/t13-,17-,22+/m0/s1 | 別名: | Aklavinone | 定義日: | 2009-07-31 | 最終更新日: | 2020-06-17 | 識別子(ID): | methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate |
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![S19 S19](https://data.pdbj.org/pdbjplus/data/cc/svg/S19.svg) | S19 | 表記: | 2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide | 組成式: | C17 H22 N6 O2 | SMILES: | O=C(N)c1c(nc(nc1)NC2CCOCC2N)Nc3ccc(cc3)C | InChi: | InChI=1S/C17H22N6O2/c1-10-2-4-11(5-3-10)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-25-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1 | 別名: | GSK143 | 定義日: | 2011-07-12 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide |
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![Z81 Z81](https://data.pdbj.org/pdbjplus/data/cc/svg/Z81.svg) | Z81 | 表記: | (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one | 組成式: | C21 H16 F2 N4 O | SMILES: | CN1C(=N[C](C1=O)(c2ccncc2)c3cccc(c3)c4cc(F)ccc4F)N | InChi: | InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)/t21-/m1/s1 | 別名: | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID | 定義日: | 2010-02-05 | 最終更新日: | 2020-06-17 | 識別子(ID): | (5S)-2-azanyl-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-yl-imidazol-4-one |
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![X7E X7E](https://data.pdbj.org/pdbjplus/data/cc/svg/X7E.svg) | X7E | 表記: | (4R)-5-[(S)-(3,4-DIFLUOROPHENYL)(HYDROXY)METHYL]-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-3,4-DIHYDROPYRIMIDINE-2(1H)-THIONE | 組成式: | C19 H18 F2 N2 O2 S | SMILES: | S=C2NC(c1cccc(O)c1)C(=C(N2C)C)C(O)c3ccc(F)c(F)c3 | InChi: | InChI=1S/C19H18F2N2O2S/c1-10-16(18(25)12-6-7-14(20)15(21)9-12)17(22-19(26)23(10)2)11-4-3-5-13(24)8-11/h3-9,17-18,24-25H,1-2H3,(H,22,26)/t17-,18+/m1/s1 | 別名: | (R)-(3,4-DIFLUOROPHENYL)(4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) | 定義日: | 2010-02-26 | 最終更新日: | 2020-06-17 | 識別子(ID): | (4R)-5-[(S)-(3,4-difluorophenyl)(hydroxy)methyl]-4-(3-hydroxyphenyl)-1,6-dimethyl-3,4-dihydropyrimidine-2(1H)-thione |
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