| Reaction Details |
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 | Report a problem with these data |
| Target | Integrase |
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| Ligand | BDBM50073643 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_88621 (CHEMBL701725) |
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| IC50 | 800±n/a nM |
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| Citation |  King, PJ; Ma, G; Miao, W; Jia, Q; McDougall, BR; Reinecke, MG; Cornell, C; Kuan, J; Kim, TR; Robinson, WE Structure-activity relationships: analogues of the dicaffeoylquinic and dicaffeoyltartaric acids as potent inhibitors of human immunodeficiency virus type 1 integrase and replication. J Med Chem42:497-509 (1999) [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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| BDBM50073643 |
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| n/a |
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| Name | BDBM50073643 |
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| Synonyms: | (1R,3R,4S)-3,5-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acryloyloxy]-4-hydroxy-1-methoxycarbonyloxy-cyclohexanecarboxylic acid | CHEMBL149893 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H26O14 |
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| Mol. Mass. | 574.4869 |
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| SMILES | COC(=O)O[C@@]1(CC(OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |
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| Structure | 
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