| Reaction Details |
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 | Report a problem with these data |
| Target | Gag-Pol polyprotein [489-587] |
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| Ligand | BDBM4149 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_159462 (CHEMBL878769) |
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| IC50 | 2.1±n/a nM |
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| Citation |  Huang, X; Xu, L; Luo, X; Fan, K; Ji, R; Pei, G; Chen, K; Jiang, H Elucidating the inhibiting mode of AHPBA derivatives against HIV-1 protease and building predictive 3D-QSAR models. J Med Chem45:333-43 (2002) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Gag-Pol polyprotein [489-587] |
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| Name: | Gag-Pol polyprotein [489-587] |
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| Synonyms: | Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 10781.16 |
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| Organism: | Human immunodeficiency virus type 1 |
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| Description: | P04585[489-587] |
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| Residue: | 99 |
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| Sequence: | PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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| BDBM4149 |
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| n/a |
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| Name | BDBM4149 |
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| Synonyms: | (2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-3-[(5-fluoro-3-hydroxy-2-methylphenyl)formamido]-2-hydroxy-4-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-2-carboxamide | (5-Fluoro-3-hydroxy-2-methylbenzoyl)-{2(S)-hydroxy-3(S)-amino-4-(3-trifluoromethyl)-phenylbutanoyl}-4(S)-Cl-Pro-NH-t-Bu | AHPBA deriv. 34 | CHEMBL115332 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H32ClF4N3O5 |
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| Mol. Mass. | 602.017 |
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| SMILES | Cc1c(O)cc(F)cc1C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r| |
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| Structure | 
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