Reaction Details |
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Target | Integrase |
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Ligand | BDBM49361 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_940681 (CHEMBL2327747) |
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IC50 | >20000±n/a nM |
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Citation | Serrao, E; Debnath, B; Otake, H; Kuang, Y; Christ, F; Debyser, Z; Neamati, N Fragment-based discovery of 8-hydroxyquinoline inhibitors of the HIV-1 integrase-lens epithelium-derived growth factor/p75 (IN-LEDGF/p75) interaction. J Med Chem56:2311-22 (2013) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Integrase |
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Name: | Integrase |
Synonyms: | pol |
Type: | PROTEIN |
Mol. Mass.: | 32203.43 |
Organism: | Human immunodeficiency virus 1 |
Description: | ChEMBL_106649 |
Residue: | 288 |
Sequence: | FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGI
WQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSN
FTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAV
FIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAK
LLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
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BDBM49361 |
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n/a |
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Name | BDBM49361 |
Synonyms: | MLS000123591 | N-[(2-methoxyphenyl)-(8-oxidanylquinolin-7-yl)methyl]propanamide | N-[(8-Hydroxy-quinolin-7-yl)-(2-methoxy-phenyl)-methyl]-propionamide | N-[(8-hydroxy-7-quinolinyl)-(2-methoxyphenyl)methyl]propanamide | N-[(8-hydroxy-7-quinolyl)-(2-methoxyphenyl)methyl]propionamide | N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]propanamide | SMR000124128 | cid_2876575 |
Type | Small organic molecule |
Emp. Form. | C20H20N2O3 |
Mol. Mass. | 336.3844 |
SMILES | CCC(=O)NC(c1ccccc1OC)c1ccc2cccnc2c1O |
Structure |
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