| Reaction Details |
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 | Report a problem with these data |
| Target | Integrase |
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| Ligand | BDBM188497 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1834391 (CHEMBL4334399) |
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| IC50 | 136±n/a nM |
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| Citation |  Wilson, TA; Koneru, PC; Rebensburg, SV; Lindenberger, JJ; Kobe, MJ; Cockroft, NT; Adu-Ampratwum, D; Larue, RC; Kvaratskhelia, M; Fuchs, JR An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors. ACS Med Chem Lett10:215-220 (2019) [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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| BDBM188497 |
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| n/a |
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| Name | BDBM188497 |
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| Synonyms: | 2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl)-2-(tert-butoxy)acetic acid | ALLINI-2 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H21BrClNO3 |
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| Mol. Mass. | 462.764 |
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| SMILES | Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(O)=O |
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| Structure | 
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