Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50485184
Substrate
n/a
Meas. Tech.
ChEMBL_821528 (CHEMBL2038196)
IC50
>2000000±n/a nM
Citation
 Pawar, SA; Jabgunde, AM; Govender, P; Maguire, GE; Kruger, HG; Parboosing, R; Soliman, ME; Sayed, Y; Dhavale, DD; Govender, T Synthesis and molecular modelling studies of novel carbapeptide analogs for inhibition of HIV-1 protease. Eur J Med Chem 53:13-21 (2012) [PubMed]  Article 
Target
Name:
Protease
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
10904.79
Organism:
Human immunodeficiency virus 1 (HIV-1)
Description:
Q9YQ12
Residue:
99
Sequence:
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50485184
Synonyms:
CHEMBL2035873
Type:
Small organic molecule
Emp. Form.:
C39H56N4O10
Mol. Mass.:
740.8827
SMILES:
COC(=O)[C@H](CC(C)C)NC(C)[C@H](Cc1ccccc1)NC(=O)[C@@H]1O[C@H]([C@@H](O)[C@@H]1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
Structure:
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