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Target
Procathepsin L
Ligand
BDBM50237013
Substrate
n/a
Meas. Tech.
ChEMBL_1661378 (CHEMBL4010990)
Ki
30±n/a nM
Citation
 Kuhn, B; Tichư, M; Wang, L; Robinson, S; Martin, RE; Kuglstatter, A; Benz, J; Giroud, M; Schirmeister, T; Abel, R; Diederich, F; Hert, J Prospective Evaluation of Free Energy Calculations for the Prioritization of Cathepsin L Inhibitors. J Med Chem 60:2485-2497 (2017) [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:
BDBM50237013
Synonyms:
CHEMBL4061015
Type:
Small organic molecule
Emp. Form.:
C23H21FN4O3
Mol. Mass.:
420.4362
SMILES:
COc1cccc(CCCN(Cc2ccc3OCOc3c2)c2nc(ncc2F)C#N)c1
Structure:
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