| Reaction Details |
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 | Report a problem with these data |
| Target | Integrase |
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| Ligand | BDBM49181 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_940681 (CHEMBL2327747) |
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| IC50 | >20000±n/a nM |
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| Citation |  Serrao, E; Debnath, B; Otake, H; Kuang, Y; Christ, F; Debyser, Z; Neamati, N Fragment-based discovery of 8-hydroxyquinoline inhibitors of the HIV-1 integrase-lens epithelium-derived growth factor/p75 (IN-LEDGF/p75) interaction. J Med Chem56:2311-22 (2013) [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: | pol |
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| Type: | PROTEIN |
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| Mol. Mass.: | 32203.43 |
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| Organism: | Human immunodeficiency virus 1 |
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| Description: | ChEMBL_106649 |
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| Residue: | 288 |
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| Sequence: | FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGI
WQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSN
FTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAV
FIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAK
LLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
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| BDBM49181 |
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| n/a |
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| Name | BDBM49181 |
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| Synonyms: | 5-(4-Benzyl-piperazin-1-ylmethyl)-quinolin-8-ol | 5-[(4-benzylpiperazin-1-yl)methyl]quinolin-8-ol | 5-[(4-benzylpiperazino)methyl]quinolin-8-ol | 5-[[4-(phenylmethyl)-1-piperazinyl]methyl]-8-quinolinol | 5-[[4-(phenylmethyl)piperazin-1-yl]methyl]quinolin-8-ol | MLS000075465 | SMR000014637 | cid_651866 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H23N3O |
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| Mol. Mass. | 333.4268 |
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| SMILES | Oc1ccc(CN2CCN(Cc3ccccc3)CC2)c2cccnc12 |
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| Structure | 
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