Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50040573
Substrate
n/a
Meas. Tech.
ChEMBL_158047 (CHEMBL767017)
IC50
33000±n/a nM
Citation
 De Voss, JJ; Sui, Z; DeCamp, DL; Salto, R; Babé, LM; Craik, CS; Ortiz de Montellano, PR Haloperidol-based irreversible inhibitors of the HIV-1 and HIV-2 proteases. J Med Chem 37:665-73 (1994) [PubMed]  Article 
Target
Name:
Genome polyprotein
Synonyms:
Human rhinovirus A protease | Human rhinovirus B 3A protease
Type:
PROTEIN
Mol. Mass.:
44361.04
Organism:
Human rhinovirus B
Description:
ChEMBL_158953
Residue:
401
Sequence:
AFRPCNVNTKIGNAKCCPFVCGKAVTFKDRSTCSTYNLSSSLHHILEEDKRRRQVVDVMSAIFQGPISLDAPPPPAIADLLQSVRTPRVIKYCQIIMGHPAECQVERDLNIANSIIAIIANIISIAGIIFVIYKLFCSLQGPYSGEPKPKTKVPERRVVAQGPEEEFGRSILKNNTCVITTGNGKFTGLGIHDRILIIPTHADPGREVQVNGVHTKVLDSYDLYNRDGVKLEITVIQLDRNEKFRDIRKYIPETEDDYPECNLALSANQDEPTIIKVGDVVSYGNILLSGNQTARMLKYNYPTKSGYCGGVLYKIGQILGIHVGGNGRDGFSAMLLRSYFTGQIKVNKHATECGLPDIQTIHTPSKTKLQPSVFYDVFPGSKEPAVLTDNDPRLEVNFKEA
  
Inhibitor
Name:
BDBM50040573
Synonyms:
4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1-phenyl-but-2-yn-1-one | CHEMBL161488
Type:
Small organic molecule
Emp. Form.:
C21H20ClNO2
Mol. Mass.:
353.842
SMILES:
OC1(CCN(CC#CC(=O)c2ccccc2)CC1)c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: