| Reaction Details |
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 | Report a problem with these data |
| Target | Gag-Pol polyprotein [489-587] |
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| Ligand | BDBM1040 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_159454 (CHEMBL766799) |
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| IC50 | 0.26±n/a nM |
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| Citation |  Holloway, MK; Wai, JM; Halgren, TA; Fitzgerald, PM; Vacca, JP; Dorsey, BD; Levin, RB; Thompson, WJ; Chen, LJ; deSolms, SJ A priori prediction of activity for HIV-1 protease inhibitors employing energy minimization in the active site. J Med Chem38:305-17 (1995) [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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| BDBM1040 |
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| n/a |
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| Name | BDBM1040 |
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| Synonyms: | CHEMBL296484 | Hydroxyethylene dipeptide isostere 32 | tert-butyl N-[(2S,3S,5R)-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenyl-5-{[4-(trifluoromethyl)phenyl]methyl}pentan-2-yl]carbamate |
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| Type | Small organic molecule |
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| Emp. Form. | C34H39F3N2O5 |
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| Mol. Mass. | 612.6791 |
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| SMILES | [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)C(F)(F)F)[C@H](O)Cc2ccccc12 |r| |
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| Structure | 
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