Reaction Details |
| Report a problem with these data |
Target | Gag-Pol polyprotein [489-587] |
---|
Ligand | BDBM50035632 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_159454 (CHEMBL766799) |
---|
IC50 | 66.3±n/a nM |
---|
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] |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Gag-Pol polyprotein [489-587] |
---|
Name: | Gag-Pol polyprotein [489-587] |
Synonyms: | Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol |
Type: | Enzyme Subunit |
Mol. Mass.: | 10781.16 |
Organism: | Human immunodeficiency virus type 1 |
Description: | P04585[489-587] |
Residue: | 99 |
Sequence: | PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
|
|
|
BDBM50035632 |
---|
n/a |
---|
Name | BDBM50035632 |
Synonyms: | (1R,2R)-1-((2R,4S,5S)-2-Benzyl-5-tert-butoxycarbonylamino-4-hydroxy-6-phenyl-hexanoylamino)-indan-2-carboxylic acid methyl ester | CHEMBL107369 |
Type | Small organic molecule |
Emp. Form. | C35H42N2O6 |
Mol. Mass. | 586.7178 |
SMILES | COC(=O)[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |
Structure |
|