Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50422055
Substrate
n/a
Meas. Tech.
ChEMBL_158031 (CHEMBL768622)
IC50
4677±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 Chem 38:305-17 (1995) [PubMed]  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:
BDBM50422055
Synonyms:
CHEMBL106005
Type:
Small organic molecule
Emp. Form.:
C28H40N2O5
Mol. Mass.:
484.6276
SMILES:
CC(C)(C)OC(=O)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: