Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50485740
Substrate
n/a
Meas. Tech.
ChEMBL_858662 (CHEMBL2166544)
Ki
0.003000±n/a nM
Citation
 Parai, MK; Huggins, DJ; Cao, H; Nalam, MN; Ali, A; Schiffer, CA; Tidor, B; Rana, TM Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J Med Chem 55:6328-41 (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:
BDBM50485740
Synonyms:
CHEMBL2165903
Type:
Small organic molecule
Emp. Form.:
C28H36N4O6S2
Mol. Mass.:
588.739
SMILES:
CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H]1CCC(=O)N1)S(=O)(=O)c1ccc2ncsc2c1 |r|
Structure:
Search PDB for entries with ligand similarity: