Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50281639
Substrate
n/a
Meas. Tech.
ChEBML_157566
Ki
47±n/a nM
Citation
 Sawyer, T; Fisher, J; Hester, J; Smith, C; Tomasselli, A; Tarpley, W; Burton, P; Hui, J; McQuade, T; Conradi, R; Bradford, V; Liu, L; Kinner, J; Tustin, J; Alexander, D; Harrison, A; Emmert, D; Staples, D; Maggiora, L; Zhang, Y; Poorman, R; Dunna, B; Rao, C; Scarborough, P; Lowther, W; Craik, C; DeCamp, D; Moon, J; Howe, W; Heinrikson, R Peptidomimetic inhibitors of human immunodeficiency virus protease (HIV-PR): Design, enzyme binding and selectivity, antiviral efficacy, and cell permeability properties Bioorg Med Chem Lett 3:819-824 (1993)    Article 
Target
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:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50281639
Synonyms:
(2S,4S,5S)-6-Cyclohexyl-5-hexanoylamino-4-hydroxy-2-isopropyl-hexanoic acid {(S)-2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butyl}-amide | CHEMBL168779
Type:
Small organic molecule
Emp. Form.:
C33H56N4O4
Mol. Mass.:
572.8221
SMILES:
CCCCCC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C(C)CC)C(=O)NCc1ccccn1
Structure:
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