Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50053852
Substrate
n/a
Meas. Tech.
ChEMBL_47385 (CHEMBL659000)
Ki
640±n/a nM
Citation
 Li, Z; Ortega-Vilain, AC; Patil, GS; Chu, DL; Foreman, JE; Eveleth, DD; Powers, JC Novel peptidyl alpha-keto amide inhibitors of calpains and other cysteine proteases. J Med Chem 39:4089-98 (1996) [PubMed]  Article 
Target
Name:
Cathepsin B
Synonyms:
BCSB | CATB_BOVIN | CTSB | Cathepsin B precursor | Cathepsin B1
Type:
Enzyme
Mol. Mass.:
36657.87
Organism:
Bos taurus (bovine)
Description:
Bovine spleen CB was purchased from Sigma Co. (USA).
Residue:
335
Sequence:
MWRLLATLSCLLVLTSARSSLYFPPLSDELVNFVNKQNTTWKAGHNFYNVDLSYVKKLCGAILGGPKLPQRDAFAADVVLPESFDAREQWPNCPTIKEIRDQGSCGSCWAFGAVEAISDRICIHSNGRVNVEVSAEDMLTCCGGECGDGCNGGFPSGAWNFWTKKGLVSGGLYNSHVGCRPYSIPPCEHHVNGSRPPCTGEGDTPKCSKTCEPGYSPSYKEDKHFGCSSYSVANNEKEIMAEIYKNGPVEGAFSVYSDFLLYKSGVYQHVSGEIMGGHAIRILGWGVENGTPYWLVGNSWNTDWGDNGFFKILRGQDHCGIESEIVAGMPCTHQY
  
Inhibitor
Name:
BDBM50053852
Synonyms:
CHEMBL133707 | [1-(1-Benzyl-2-{2-[3-(3,4-dichloro-phenoxy)-phenyl]-2-hydroxy-ethylcarbamoyl}-2-oxo-ethylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C38H39Cl2N3O7
Mol. Mass.:
720.638
SMILES:
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccc(Cl)c(Cl)c2)c1
Structure:
Search PDB for entries with ligand similarity: