| Reaction Details |
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 | Report a problem with these data |
| Target | Integrase |
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| Ligand | BDBM55745 |
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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 |
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| Synonyms: | pol |
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| Type: | PROTEIN |
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| Mol. Mass.: | 32203.43 |
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| Organism: | Human immunodeficiency virus 1 |
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| Description: | ChEMBL_106649 |
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| Residue: | 288 |
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| Sequence: | FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGI
WQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSN
FTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAV
FIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAK
LLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
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| BDBM55745 |
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| n/a |
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| Name | BDBM55745 |
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| Synonyms: | MLS000715219 | N-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)-(3,4-dimethoxyphenyl)methyl]propanamide | N-[(5-chloro-8-hydroxy-7-quinolinyl)-(3,4-dimethoxyphenyl)methyl]propanamide | N-[(5-chloro-8-hydroxy-7-quinolyl)-(3,4-dimethoxyphenyl)methyl]propionamide | N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3,4-dimethoxyphenyl)methyl]propanamide | SMR000275198 | cid_2921752 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H21ClN2O4 |
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| Mol. Mass. | 400.855 |
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| SMILES | CCC(=O)NC(c1ccc(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O |
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| Structure | 
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