| Reaction Details |
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 | Report a problem with these data |
| Target | Integrase |
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| Ligand | BDBM50141242 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_90870 (CHEMBL699303) |
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| IC50 | 100±n/a nM |
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| Citation |  Mustata, GI; Brigo, A; Briggs, JM HIV-1 integrase pharmacophore model derived from diverse classes of inhibitors. Bioorg Med Chem Lett14:1447-54 (2004) [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: | Human immunodeficiency virus type 1 integrase |
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| Type: | PROTEIN |
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| Mol. Mass.: | 32231.48 |
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| Organism: | Human immunodeficiency virus 1 |
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| Description: | ChEMBL_90865 |
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| Residue: | 288 |
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| Sequence: | FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGI
WQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSN
FTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAV
FIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAK
LLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
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| BDBM50141242 |
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| n/a |
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| Name | BDBM50141242 |
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| Synonyms: | CHEMBL403498 | Pyridine-2,5-dicarboxylic acid bis-[(4-{4-[4-(2-carbamimidoyl-ethylcarbamoyl)-3-methyl-cyclopenta-1,4-dienylcarbamoyl]-3-methyl-cyclopenta-1,4-dienylcarbamoyl}-3-methyl-cyclopenta-1,4-dienyl)-amide] |
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| Type | Small organic molecule |
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| Emp. Form. | C55H61N13O8 |
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| Mol. Mass. | 1032.1551 |
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| SMILES | CC1C=C(NC(=O)C2=CC(NC(=O)C3=CC(NC(=O)c4ccc(nc4)C(=O)NC4=CC(C)C(=C4)C(=O)NC4=CC(C)C(=C4)C(=O)NC4=CC(C)C(=C4)C(=O)NCCC(N)=N)=CC3C)=CC2C)C=C1C(=O)NCCC(N)=N |c:33,43,53,63,67,72,t:2,7,13,29,39,49| |
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| Structure | 
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