Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]
Ligand
BDBM50422052
Substrate
n/a
Meas. Tech.
ChEMBL_1772762 (CHEMBL4229754)
Ki
0.370000±n/a nM
Citation
 Ramesh, R; Reddy, DS Quest for Novel Chemical Entities through Incorporation of Silicon in Drug Scaffolds. J Med Chem 61:3779-3798 (2018) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]
Synonyms:
HIV-1 protease | HIV-1 protease (G48V) | HIV-1 protease (V82A) | POL_HV1N5 | gag-pol
Type:
Protein
Mol. Mass.:
10827.77
Organism:
Human immunodeficiency virus
Description:
P12497[489-587,G537V,H558K,V571A]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIVGIGGFIKVRQYDQILIEICGKKAIGTVLVGPTPANIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50422052
Synonyms:
CHEMBL109952 | L-700417
Type:
Small organic molecule
Emp. Form.:
C39H42N2O5
Mol. Mass.:
618.7612
SMILES:
OC(C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity: