Reaction Details Report a problem with these data
Target
Procathepsin L
Ligand
BDBM50602544
Substrate
n/a
Meas. Tech.
ChEMBL_2241126 (CHEMBL5155336)
Ki
4.0±n/a nM
Citation
 Ashhurst, AS; Tang, AH; Fajtová, P; Yoon, MC; Aggarwal, A; Bedding, MJ; Stoye, A; Beretta, L; Pwee, D; Drelich, A; Skinner, D; Li, L; Meek, TD; McKerrow, JH; Hook, V; Tseng, CT; Larance, M; Turville, S; Gerwick, WH; O'Donoghue, AJ; Payne, RJ Potent Anti-SARS-CoV-2 Activity by the Natural Product Gallinamide A and Analogues via Inhibition of Cathepsin L. J Med Chem 65:2956-2970 (2022) [PubMed] 
Target
Name:
Procathepsin L
Synonyms:
CATL1_MOUSE | Cathepsin L | Ctsl | Ctsl1 | Q543M3
Type:
PROTEIN
Mol. Mass.:
37548.98
Organism:
Mus musculus
Description:
n/a
Residue:
334
Sequence:
MNLLLLLAVLCLGTALATPKFDQTFSAEWHQWKSTHRRLYGTNEEEWRRAIWEKNMRMIQLHNGEYSNGQHGFSMEMNAFGDMTNEEFRQVVNGYRHQKHKKGRLFQEPLMLKIPKSVDWREKGCVTPVKNQGQCGSCWAFSASGCLEGQMFLKTGKLISLSEQNLVDCSHAQGNQGCNGGLMDFAFQYIKENGGLDSEESYPYEAKDGSCKYRAEFAVANDTGFVDIPQQEKALMKAVATVGPISVAMDASHPSLQFYSSGIYYEPNCSSKNLDHGVLLVGYGYEGTDSNKNKYWLVKNSWGSEWGMEGYIKIAKDRDNHCGLATAASYPVVN
  
Inhibitor
Name:
BDBM50602544
Synonyms:
CHEMBL4594757
Type:
Small organic molecule
Emp. Form.:
C38H54N6O6
Mol. Mass.:
690.872
SMILES:
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|
Structure:
Search PDB for entries with ligand similarity: