Reaction Details |
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Target | Integrase |
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Ligand | BDBM50088353 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_88615 (CHEMBL701719) |
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IC50 | 1400±n/a nM |
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Citation | Carlson, HA; Masukawa, KM; Rubins, K; Bushman, FD; Jorgensen, WL; Lins, RD; Briggs, JM; McCammon, JA Developing a dynamic pharmacophore model for HIV-1 integrase. J Med Chem43:2100-14 (2000) [PubMed] |
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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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BDBM50088353 |
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n/a |
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Name | BDBM50088353 |
Synonyms: | 5-(3,4-Dihydroxy-phenyl)-3-hydroxy-pentanoic acid 2-(3,4-dihydroxy-phenyl)-6,7-dihydroxy-chroman-3-yl ester | CHEMBL304722 | NSC-607319 |
Type | Small organic molecule |
Emp. Form. | C26H26O10 |
Mol. Mass. | 498.4786 |
SMILES | OC(CCc1ccc(O)c(O)c1)CC(=O)O[C@H]1Cc2cc(O)c(O)cc2O[C@H]1c1ccc(O)c(O)c1 |
Structure |
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