| Reaction Details |
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 | Report a problem with these data |
| Target | Integrase |
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| Ligand | BDBM50183273 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_336353 (CHEMBL865324) |
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| IC50 | 7.2±n/a nM |
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| Citation |  Sato, M; Motomura, T; Aramaki, H; Matsuda, T; Yamashita, M; Ito, Y; Kawakami, H; Matsuzaki, Y; Watanabe, W; Yamataka, K; Ikeda, S; Kodama, E; Matsuoka, M; Shinkai, H Novel HIV-1 integrase inhibitors derived from quinolone antibiotics. J Med Chem49:1506-8 (2006) [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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| BDBM50183273 |
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| n/a |
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| Name | BDBM50183273 |
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| Synonyms: | (S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 6-(3-Chloro-2-fluorobenzyl)-1-((2S)-1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 6-(3-chloro-2-fluorobenzyl)-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | CHEMBL204656 | ELVITEGRAVIR |
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| Type | Small organic molecule |
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| Emp. Form. | C23H23ClFNO5 |
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| Mol. Mass. | 447.884 |
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| SMILES | COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r| |
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| Structure | 
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