| Reaction Details |
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 | Report a problem with these data |
| Target | Integrase |
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| Ligand | BDBM330048 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1885880 (CHEMBL4387462) |
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| IC50 | 7.5±n/a nM |
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| Citation |  Gao, P; Cheng, X; Sun, L; Song, S; Álvarez, M; Luczkowiak, J; Pannecouque, C; De Clercq, E; Menéndez-Arias, L; Zhan, P; Liu, X Design, synthesis and biological evaluation of 3-hydroxyquinazoline-2,4(1H,3H)-diones as dual inhibitors of HIV-1 reverse transcriptase-associated RNase H and integrase. Bioorg Med Chem27:3836-3845 (2019) [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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| BDBM330048 |
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| n/a |
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| Name | BDBM330048 |
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| Synonyms: | (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluorobenzyl)-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1′,2′:4,5]pyrazino[2, 1-b][1,3]oxazepine-10-carboxamide | Bicte-gravir | US10689399, Compound 42 | US11548901, Compound 42 | US9663528, 42 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H18F3N3O5 |
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| Mol. Mass. | 449.3799 |
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| SMILES | Oc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |THB:13:12:8.7:10,3:5:8.7:10| |
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| Structure | 
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