![QRP QRP](https://data.pdbj.org/pdbjplus/data/cc/svg/QRP.svg) | QRP | Name: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | Formula: | C16 H17 N3 O2 | SMILES: | O=C1N4C(C(=O)NC1Cc3c2ccccc2nc3)CCC4 | InChi: | InChI=1S/C16H17N3O2/c20-15-14-6-3-7-19(14)16(21)13(18-15)8-10-9-17-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17H,3,6-8H2,(H,18,20)/t13-,14-/m0/s1 | Synonyms: | Brevianamide F | Definition date: | 2010-07-27 | Last modified: | 2020-05-27 | Identifier: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
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![9ZC 9ZC](https://data.pdbj.org/pdbjplus/data/cc/svg/9ZC.svg) | 9ZC | Name: | N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1H-pyrazol-5-yl}acetamide | Formula: | C21 H23 N3 O4 | SMILES: | c2(c1c(cc(O)c(c1)C(C)C)O)nnc(c2c3ccc(OC)cc3)NC(=O)C | InChi: | InChI=1S/C21H23N3O4/c1-11(2)15-9-16(18(27)10-17(15)26)20-19(21(24-23-20)22-12(3)25)13-5-7-14(28-4)8-6-13/h5-11,26-27H,1-4H3,(H2,22,23,24,25) | Definition date: | 2018-09-07 | Last modified: | 2019-05-17 | Release date: | 2019-05-22 | Identifier: | N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1H-pyrazol-5-yl}acetamide |
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![AJV AJV](https://data.pdbj.org/pdbjplus/data/cc/svg/AJV.svg) | AJV | Name: | 7-fluoro-3-(hydroxyamino)-2H-indol-2-one | Formula: | C8 H5 F N2 O2 | SMILES: | C=21C=CC=C(C1=NC(C=2NO)=O)F | InChi: | InChI=1S/C8H5FN2O2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11-13/h1-3,13H,(H,10,11,12) | Definition date: | 2017-07-19 | Last modified: | 2017-12-15 | Release date: | 2017-12-20 | Identifier: | 7-fluoro-3-(hydroxyamino)-2H-indol-2-one |
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![77O 77O](https://data.pdbj.org/pdbjplus/data/cc/svg/77O.svg) | 77O | Name: | 6-chloro-N-[(furan-2-yl)methyl]pyrazin-2-amine | Formula: | C9 H8 Cl N3 O | SMILES: | c1ncc(Cl)nc1NCc2ccco2 | InChi: | InChI=1S/C9H8ClN3O/c10-8-5-11-6-9(13-8)12-4-7-2-1-3-14-7/h1-3,5-6H,4H2,(H,12,13) | Definition date: | 2016-09-08 | Last modified: | 2016-10-21 | Release date: | 2016-10-26 | Identifier: | 6-chloro-N-[(furan-2-yl)methyl]pyrazin-2-amine |
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![72W 72W](https://data.pdbj.org/pdbjplus/data/cc/svg/72W.svg) | 72W | Name: | ~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-ethylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide | Formula: | C27 H26 F N5 O6 | SMILES: | CCc1ncnc2n(cnc12)[CH]3O[CH](C=CCNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)[CH](O)[CH]3O | InChi: | InChI=1S/C27H26FN5O6/c1-2-18-21-25(31-12-30-18)33(13-32-21)27-24(37)23(36)20(39-27)4-3-9-29-26(38)17-10-15(11-19(34)22(17)35)14-5-7-16(28)8-6-14/h3-8,10-13,20,23-24,27,34-37H,2,9H2,1H3,(H,29,38)/b4-3+/t20-,23-,24-,27-/m1/s1 | Definition date: | 2016-08-18 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | ~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-ethylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide |
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![38X 38X](https://data.pdbj.org/pdbjplus/data/cc/svg/38X.svg) | 38X | Name: | N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-L-tryptophanamide | Formula: | C37 H46 N4 O5 | SMILES: | O=C(C(C)CO)C(NC(=O)C(NC(=O)C(NC(=O)C2=C(c1ccccc1C2)C)C)Cc4c3ccccc3nc4)CC5CCCCC5 | InChi: | InChI=1S/C37H46N4O5/c1-22(21-42)34(43)32(17-25-11-5-4-6-12-25)40-37(46)33(19-27-20-38-31-16-10-9-15-29(27)31)41-35(44)24(3)39-36(45)30-18-26-13-7-8-14-28(26)23(30)2/h7-10,13-16,20,22,24-25,32-33,38,42H,4-6,11-12,17-19,21H2,1-3H3,(H,39,45)(H,40,46)(H,41,44)/t22-,24-,32+,33+/m1/s1 | Definition date: | 2014-07-09 | Last modified: | 2014-07-18 | Release date: | 2014-07-23 | Identifier: | N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-L-tryptophanamide |
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![39V 39V](https://data.pdbj.org/pdbjplus/data/cc/svg/39V.svg) | 39V | Name: | N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-L-tryptophanamide | Formula: | C37 H40 N4 O5 | SMILES: | O=C(C(C)CO)C(NC(=O)C(NC(=O)C(NC(=O)C2=C(c1ccccc1C2)C)C)Cc4c3ccccc3nc4)Cc5ccccc5 | InChi: | InChI=1S/C37H40N4O5/c1-22(21-42)34(43)32(17-25-11-5-4-6-12-25)40-37(46)33(19-27-20-38-31-16-10-9-15-29(27)31)41-35(44)24(3)39-36(45)30-18-26-13-7-8-14-28(26)23(30)2/h4-16,20,22,24,32-33,38,42H,17-19,21H2,1-3H3,(H,39,45)(H,40,46)(H,41,44)/t22-,24-,32+,33+/m1/s1 | Definition date: | 2014-07-13 | Last modified: | 2014-07-18 | Release date: | 2014-07-23 | Identifier: | N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-L-tryptophanamide |
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![19L 19L](https://data.pdbj.org/pdbjplus/data/cc/svg/19L.svg) | 19L | Name: | (2S)-2-[[(2S)-2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid | Formula: | C21 H20 N8 O6 | SMILES: | NC1=NC(=O)c2ncc(nc2N1)C(=O)N[CH](CO)C(=O)N[CH](Cc3c[nH]c4ccccc34)C(O)=O | InChi: | InChI=1S/C21H20N8O6/c22-21-28-16-15(19(33)29-21)24-7-13(25-16)17(31)27-14(8-30)18(32)26-12(20(34)35)5-9-6-23-11-4-2-1-3-10(9)11/h1-4,6-7,12,14,23,30H,5,8H2,(H,26,32)(H,27,31)(H,34,35)(H3,22,25,28,29,33)/t12-,14-/m0/s1 | Definition date: | 2012-11-09 | Last modified: | 2012-12-21 | Release date: | 2012-12-21 | Identifier: | (2S)-2-[[(2S)-2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid |
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![0R1 0R1](https://data.pdbj.org/pdbjplus/data/cc/svg/0R1.svg) | 0R1 | Name: | 1,2-benzisoxazole | Formula: | C7 H5 N O | SMILES: | n2oc1ccccc1c2 | InChi: | InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-8-9-7/h1-5H | Definition date: | 2012-04-21 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | 1,2-benzoxazole |
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![HN0 HN0](https://data.pdbj.org/pdbjplus/data/cc/svg/HN0.svg) | HN0 | Name: | 2'-deoxy-N-[(2S,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]guanosine 5'-(dihydrogen phosphate) | Formula: | C19 H30 N5 O9 P | SMILES: | O=P(O)(O)OCC4OC(n1c2N=C(NC(=O)c2nc1)NC3C(OC(O)C3)CCCCC)CC4O | InChi: | InChI=1S/C19H30N5O9P/c1-2-3-4-5-12-10(6-15(26)33-12)21-19-22-17-16(18(27)23-19)20-9-24(17)14-7-11(25)13(32-14)8-31-34(28,29)30/h9-15,25-26H,2-8H2,1H3,(H2,28,29,30)(H2,21,22,23,27)/t10-,11-,12-,13+,14+,15+/m0/s1 | Definition date: | 2011-08-15 | Last modified: | 2012-02-20 | Identifier: | 2'-deoxy-N-[(2S,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]guanosine 5'-(dihydrogen phosphate) |
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![X95 X95](https://data.pdbj.org/pdbjplus/data/cc/svg/X95.svg) | X95 | Name: | (S)-1-N2-(1-CARBOXY-3-PHENYLPROPYL)-L-LYSYL-L-TRYPTOPHAN | Formula: | C27 H34 N4 O5 | SMILES: | O=C(O)C(NC(C(=O)NC(C(=O)O)Cc2c1ccccc1nc2)CCCCN)CCc3ccccc3 | InChi: | InChI=1S/C27H34N4O5/c28-15-7-6-12-22(30-23(26(33)34)14-13-18-8-2-1-3-9-18)25(32)31-24(27(35)36)16-19-17-29-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,29-30H,6-7,12-16,28H2,(H,31,32)(H,33,34)(H,35,36)/t22-,23-,24+/m0/s1 | Definition date: | 2010-03-14 | Last modified: | 2011-11-03 | Identifier: | N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-D-tryptophan |
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![053 053](https://data.pdbj.org/pdbjplus/data/cc/svg/053.svg) | 053 | Name: | 1-[(2-aminopyridin-4-yl)methyl]-3-(2-oxo-1,2-dihydropyridin-3-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid | Formula: | C21 H15 F3 N4 O3 | SMILES: | FC(F)(F)c1cc2c(cc1)n(c(c2C3=CC=CNC3=O)C(=O)O)Cc4ccnc(N)c4 | InChi: | InChI=1S/C21H15F3N4O3/c22-21(23,24)12-3-4-15-14(9-12)17(13-2-1-6-27-19(13)29)18(20(30)31)28(15)10-11-5-7-26-16(25)8-11/h1-9H,10H2,(H2,25,26)(H,27,29)(H,30,31) | Definition date: | 2011-06-28 | Last modified: | 2011-08-26 | Identifier: | 1-[(2-aminopyridin-4-yl)methyl]-3-(2-oxo-1,2-dihydropyridin-3-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid |
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![0GR 0GR](https://data.pdbj.org/pdbjplus/data/cc/svg/0GR.svg) | 0GR | Name: | N-(furan-2-ylcarbonyl)-L-leucyl-L-tryptophan | Formula: | C22 H25 N3 O5 | SMILES: | O=C(NC(C(=O)NC(C(=O)O)Cc2c1ccccc1nc2)CC(C)C)c3occc3 | InChi: | InChI=1S/C22H25N3O5/c1-13(2)10-17(24-21(27)19-8-5-9-30-19)20(26)25-18(22(28)29)11-14-12-23-16-7-4-3-6-15(14)16/h3-9,12-13,17-18,23H,10-11H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/t17-,18-/m0/s1 | Definition date: | 2008-09-14 | Last modified: | 2011-07-13 | Identifier: | N-(furan-2-ylcarbonyl)-L-leucyl-L-tryptophan |
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![0ZN 0ZN](https://data.pdbj.org/pdbjplus/data/cc/svg/0ZN.svg) | 0ZN | Name: | N-[(1R)-1-carboxy-3-phenylpropyl]-L-leucyl-L-tryptophan | Formula: | C27 H33 N3 O5 | SMILES: | O=C(O)C(NC(C(=O)NC(C(=O)O)Cc2c1ccccc1nc2)CC(C)C)CCc3ccccc3 | InChi: | InChI=1S/C27H33N3O5/c1-17(2)14-23(29-22(26(32)33)13-12-18-8-4-3-5-9-18)25(31)30-24(27(34)35)15-19-16-28-21-11-7-6-10-20(19)21/h3-11,16-17,22-24,28-29H,12-15H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)/t22-,23-,24-/m0/s1 | Definition date: | 2008-08-05 | Last modified: | 2011-07-13 | Identifier: | N-[(1S)-1-carboxy-3-phenylpropyl]-L-leucyl-L-tryptophan |
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![63G 63G](https://data.pdbj.org/pdbjplus/data/cc/svg/63G.svg) | 63G | Name: | (6S)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one | Formula: | C13 H18 N5 O8 P | SMILES: | O=C2c3ncn(c3N=C1NC(O)CCN12)C4OC(C(O)C4)COP(=O)(O)O | InChi: | InChI=1S/C13H18N5O8P/c19-6-3-9(26-7(6)4-25-27(22,23)24)18-5-14-10-11(18)16-13-15-8(20)1-2-17(13)12(10)21/h5-9,19-20H,1-4H2,(H,15,16)(H2,22,23,24)/t6-,7+,8-,9+/m0/s1 | Definition date: | 2009-01-08 | Last modified: | 2011-06-04 | Identifier: | (6S)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one |
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![63H 63H](https://data.pdbj.org/pdbjplus/data/cc/svg/63H.svg) | 63H | Name: | (6R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one | Formula: | C13 H18 N5 O8 P | SMILES: | O=C2c3ncn(c3N=C1NC(O)CCN12)C4OC(C(O)C4)COP(=O)(O)O | InChi: | InChI=1S/C13H18N5O8P/c19-6-3-9(26-7(6)4-25-27(22,23)24)18-5-14-10-11(18)16-13-15-8(20)1-2-17(13)12(10)21/h5-9,19-20H,1-4H2,(H,15,16)(H2,22,23,24)/t6-,7+,8+,9+/m0/s1 | Definition date: | 2009-04-15 | Last modified: | 2011-06-04 | Identifier: | (6R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one |
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![8PA 8PA](https://data.pdbj.org/pdbjplus/data/cc/svg/8PA.svg) | 8PA | Name: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium | Formula: | C20 H26 N5 O8 P2 S | SMILES: | O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)C=Cc3cccnc3 | InChi: | InChI=1S/C20H25N5O8P2S/c1-13-18(7-9-32-35(30,31)33-34(27,28)29)36-20(17(26)6-5-15-4-3-8-22-10-15)25(13)12-16-11-23-14(2)24-19(16)21/h3-6,8,10-11,17,26H,7,9,12H2,1-2H3,(H4-,21,23,24,27,28,29,30,31)/p+1/b6-5+/t17-/m0/s1 | Definition date: | 2008-11-07 | Last modified: | 2011-06-04 | Identifier: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium |
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![BMI BMI](https://data.pdbj.org/pdbjplus/data/cc/svg/BMI.svg) | BMI | Name: | 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-2-YLMETHYL)AMINO]PYRIDIN-2(1H)-ONE | Formula: | C22 H19 N7 O | SMILES: | O=C2NC=CC(NCc1ncccc1)=C2c5nc3c(c(cc(c3)n4ccnc4)C)n5 | InChi: | InChI=1S/C22H19N7O/c1-14-10-16(29-9-8-23-13-29)11-18-20(14)28-21(27-18)19-17(5-7-25-22(19)30)26-12-15-4-2-3-6-24-15/h2-11,13H,12H2,1H3,(H,27,28)(H2,25,26,30) | Definition date: | 2007-01-25 | Last modified: | 2011-06-04 | Identifier: | 3-[5-(1H-imidazol-1-yl)-7-methyl-1H-benzimidazol-2-yl]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1H)-one |
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