Reaction Details |
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Target | Integrase |
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Ligand | BDBM25351 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1363202 (CHEMBL3294150) |
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IC50 | 10.0±n/a nM |
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Citation | Suchaud, V; Bailly, F; Lion, C; Calmels, C; Andréola, ML; Christ, F; Debyser, Z; Cotelle, P Investigation of a novel series of 2-hydroxyisoquinoline-1,3(2H,4H)-diones as human immunodeficiency virus type 1 integrase inhibitors. J Med Chem57:4640-60 (2014) [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: | Human immunodeficiency virus type 1 integrase |
Type: | PROTEIN |
Mol. Mass.: | 32231.48 |
Organism: | Human immunodeficiency virus 1 |
Description: | ChEMBL_90865 |
Residue: | 288 |
Sequence: | FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGI
WQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSN
FTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAV
FIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAK
LLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
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BDBM25351 |
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n/a |
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Name | BDBM25351 |
Synonyms: | N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide | Raltegravir |
Type | Small organic molecule |
Emp. Form. | C20H21FN6O5 |
Mol. Mass. | 444.4163 |
SMILES | Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C |
Structure |
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