Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50286511
Substrate
n/a
Meas. Tech.
ChEBML_159636
IC50
160±n/a nM
Citation
 Bisacchi, GS; Ahmad, S; Alam, M; Ashfaq, A; Barrish, J; Cheng, PT; Greytok, J; Hermsmeier, M; Lin, PF; Merchant, Z; Skoog, M; Spergel, S; Zahler, R Aminodiol HIV protease inhibitors. 2. 1,1-Dimethyl-2-hydroxyethyl carbamate derivatives with enhanced potency Bioorg Med Chem Lett 5:459-464 (1995)    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:
BDBM50286511
Synonyms:
CHEMBL140062 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,3S)-2-hydroxy-3-((R)-2-hydroxy-1,1-dimethyl-propoxycarbonylamino)-4-phenyl-butylamino]-propyl}-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C31H47N3O7
Mol. Mass.:
573.7208
SMILES:
C[C@@H](O)C(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Structure:
Search PDB for entries with ligand similarity: