Reaction Details |
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Target | Integrase |
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Ligand | BDBM50478740 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_504751 (CHEMBL990225) |
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IC50 | 1700±n/a nM |
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Citation | Singh, SB; Jayasuriya, H; Salituro, GM; Zink, DL; Shafiee, A; Heimbuch, B; Silverman, KC; Lingham, RB; Genilloud, O; Teran, A; Vilella, D; Felock, P; Hazuda, D The complestatins as HIV-1 integrase inhibitors. Efficient isolation, structure elucidation, and inhibitory activities of isocomplestatin, chloropeptin I, new complestatins, A and B, and acid-hydrolysis products of chloropeptin I. J Nat Prod64:874-82 (2001) [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 |
Synonyms: | pol |
Type: | PROTEIN |
Mol. Mass.: | 32203.43 |
Organism: | Human immunodeficiency virus 1 |
Description: | ChEMBL_106649 |
Residue: | 288 |
Sequence: | FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGI
WQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSN
FTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAV
FIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAK
LLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
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BDBM50478740 |
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n/a |
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Name | BDBM50478740 |
Synonyms: | CHEBI:65656 | COMPLESTATIN B |
Type | Small organic molecule |
Emp. Form. | C61H45Cl6N7O17 |
Mol. Mass. | 1360.765 |
SMILES | [H][C@@]12NC(=O)[C@H](NC(=O)[C@@H](CC3(O)C(=O)Nc4cc(ccc34)-c3cc1cc(Oc1ccc(C[C@H](N(C)C(=O)[C@H](NC2=O)c2cc(Cl)c(O)c(Cl)c2)C(=O)N[C@@H](C(O)=O)c2ccc(O)cc2)cc1)c3O)NC(=O)C(=O)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1 |r| |
Structure |
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