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_746079 (CHEMBL1775514) |
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IC50 | 67±n/a nM |
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Citation | Zhao, XZ; Maddali, K; Metifiot, M; Smith, SJ; Vu, BC; Marchand, C; Hughes, SH; Pommier, Y; Burke, TR Development of tricyclic hydroxy-1H-pyrrolopyridine-trione containing HIV-1 integrase inhibitors. Bioorg Med Chem Lett21:2986-90 (2011) [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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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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