Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50281471
Substrate
n/a
Meas. Tech.
ChEBML_79957
Ki
400000±n/a nM
Citation
 Schirlin, D; Baltzer, S; Dorsselaer, VV; Weber, F; Weill, C; Altenburger, JM; Neises, B; Flynn, G; Rémy, JM; Tarnus, C Short and unexpectedly potent difluorostatone type inhibitors of HIV-1 protease Bioorg Med Chem Lett 3:253-258 (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:
BDBM50281471
Synonyms:
CHEMBL87633 | [(S)-1-(1-Benzyl-3-benzylcarbamoyl-3,3-difluoro-2-oxo-propylcarbamoyl)-butyl]-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C31H33F2N3O5
Mol. Mass.:
565.6076
SMILES:
CCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: