Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50035626
Substrate
n/a
Meas. Tech.
ChEMBL_159454 (CHEMBL766799)
IC50
690±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:
BDBM50035626
Synonyms:
CHEMBL318341 | [(1S,2S,4R)-1-Benzyl-2-hydroxy-4-((S)-1-hydroxymethyl-2-phenyl-ethylcarbamoyl)-5-phenyl-pentyl]-carbamic acid tert-butyl ester | [1-Benzyl-2-hydroxy-4-(1-hydroxymethyl-2-phenyl-ethylcarbamoyl)-5-phenyl-pentyl]-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C33H42N2O5
Mol. Mass.:
546.697
SMILES:
CC(C)(C)OC(=O)NC(Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: