Reaction Details  Report a problem with these data
Target
Procathepsin L
Ligand
BDBM50371562
Substrate
n/a
Meas. Tech.
ChEMBL_463778 (CHEMBL931129)
Ki
14000±n/a nM
Citation
 Ettari, R; Nizi, E; Di Francesco, ME; Dude, MA; Pradel, G; Vicík, R; Schirmeister, T; Micale, N; Grasso, S; Zappalà, M Development of peptidomimetics with a vinyl sulfone warhead as irreversible falcipain-2 inhibitors. J Med Chem 51:988-96 (2008) [PubMed]  Article
Target
Name:
Procathepsin L
Synonyms:
CATL1_HUMAN | CTSL | CTSL CTSL1 | CTSL1 | Cathepsin L | Cathepsin L1 | Cathepsin L1 heavy chain | Cathepsin L1 light chain | MEP | Major excreted protein | cathepsin L preproprotein
Type:
Enzyme
Mol. Mass.:
37557.19
Organism:
Homo sapiens (Human)
Description:
Purchased from Calbiochem (San Diego, CA).
Residue:
333
Sequence:
MNPTLILAAFCLGIASATLTFDHSLEAQWTKWKAMHNRLYGMNEEGWRRAVWEKNMKMIELHNQEYREGKHSFTMAMNAFGDMTSEEFRQVMNGFQNRKPRKGKVFQEPLFYEAPRSVDWREKGYVTPVKNQGQCGSCWAFSATGALEGQMFRKTGRLISLSEQNLVDCSGPQGNEGCNGGLMDYAFQYVQDNGGLDSEESYPYEATEESCKYNPKYSVANDTGFVDIPKQEKALMKAVATVGPISVAIDAGHESFLFYKEGIYFEPDCSSEDMDHGVLVVGYGFESTESDNNKYWLVKNSWGEEWGMGGYVKMAKDRRNHCGIASAASYPTV
  
Inhibitor
Name:
BDBM50371562
Synonyms:
CHEMBL271992
Type:
Small organic molecule
Emp. Form.:
C36H30ClF3N4O7S
Mol. Mass.:
755.159
SMILES:
COc1ccc(cc1)S(=O)(=O)C=CCNC(=O)CN1c2ccccc2C(=NC(COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |w:12.13,c:27|
Structure:
Search PDB for entries with ligand similarity: