Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50066652
Substrate
n/a
Meas. Tech.
ChEMBL_47585 (CHEMBL657188)
Ki
>1000±n/a nM
Citation
 Marquis, RW; Yamashita, DS; Ru, Y; LoCastro, SM; Oh, HJ; Erhard, KF; DesJarlais, RL; Head, MS; Smith, WW; Zhao, B; Janson, CA; Abdel-Meguid, SS; Tomaszek, TA; Levy, MA; Veber, DF Conformationally constrained 1,3-diamino ketones: a series of potent inhibitors of the cysteine protease cathepsin K. J Med Chem 41:3563-7 (1998) [PubMed]  Article 
Target
Name:
Cathepsin B
Synonyms:
APP secretase | APPS | CATB_HUMAN | CPSB | CTSB | Cathepsin B heavy chain | Cathepsin B light chain | Cathepsin B1
Type:
Enzyme
Mol. Mass.:
37819.69
Organism:
Homo sapiens (Human)
Description:
gi_63102437
Residue:
339
Sequence:
MWQLWASLCCLLVLANARSRPSFHPLSDELVNYVNKRNTTWQAGHNFYNVDMSYLKRLCGTFLGGPKPPQRVMFTEDLKLPASFDAREQWPQCPTIKEIRDQGSCGSCWAFGAVEAISDRICIHTNAHVSVEVSAEDLLTCCGSMCGDGCNGGYPAEAWNFWTRKGLVSGGLYESHVGCRPYSIPPCEHHVNGSRPPCTGEGDTPKCSKICEPGYSPTYKQDKHYGYNSYSVSNSEKDIMAEIYKNGPVEGAFSVYSDFLLYKSGVYQHVTGEMMGGHAIRILGWGVENGTPYWLVANSWNTDWGDNGFFKILRGQDHCGIESEVVAGIPRTDQYWEKI
  
Inhibitor
Name:
BDBM50066652
Synonyms:
CHEMBL117054 | {(S)-3-Methyl-1-[3-oxo-4-(4-phenoxy-benzoylamino)-pyrrolidine-1-carbonyl]-butyl}-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C31H33N3O6
Mol. Mass.:
543.6102
SMILES:
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC(NC(=O)c2ccc(Oc3ccccc3)cc2)C(=O)C1
Structure:
Search PDB for entries with ligand similarity: