| Reaction Details |
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 | Report a problem with these data |
| Target | Integrase |
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| Ligand | BDBM50482714 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_657377 (CHEMBL1246353) |
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| IC50 | 120±n/a nM |
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| Citation |  Suzuki, S; Maddali, K; Hashimoto, C; Urano, E; Ohashi, N; Tanaka, T; Ozaki, T; Arai, H; Tsutsumi, H; Narumi, T; Nomura, W; Yamamoto, N; Pommier, Y; Komano, JA; Tamamura, H Peptidic HIV integrase inhibitors derived from HIV gene products: structure-activity relationship studies. Bioorg Med Chem18:6771-5 (2010) [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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| BDBM50482714 |
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| n/a |
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| Name | BDBM50482714 |
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| Synonyms: | CHEMBL1241175 |
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| Type | Small organic molecule |
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| Emp. Form. | C156H272N62O33 |
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| Mol. Mass. | 3544.2245 |
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| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| |
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| Structure | 
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