Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM19828
Substrate
BDBM19480
Meas. Tech.
Enzyme Inhibition Assay
pH
5.5±n/a
Temperature
295.15±n/a K
IC50
200±n/a nM
Citation
Crane, SN; Black, WC; Palmer, JT; Davis, DE; Setti, E; Robichaud, J; Paquet, J; Oballa, RM; Bayly, CI; McKay, DJ; Somoza, JR; Chauret, N; Seto, C; Scheigetz, J; Wesolowski, G; Massé, F; Desmarais, S; Ouellet, M Beta-substituted cyclohexanecarboxamide: a nonpeptidic framework for the design of potent inhibitors of cathepsin K. J Med Chem 49:1066-79 (2006) [PubMed] Article
Target
Name:
Cathepsin K
Synonyms:
CATK_RABIT | CTSK
Type:
Enzyme
Mol. Mass.:
36879.51
Organism:
Rabbit
Description:
n/a
Residue:
329
Sequence:
MWGLKVLLLPVVSFALHPEEILDTQWELWKKTYSKQYNSKVDEISRRLIWEKNLKHISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPPSRSHSNDTLYIPDWEGRTPDSIDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENYGCGGGYMTNAFQYVQRNRGIDSEDAYPYVGQDESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDENCSSDNVNHAVLAVGYGIQKGNKHWIIKNSWGESWGNKGYILMARNKNNACGIANLASFPKM
Inhibitor
Name:
BDBM19828
Synonyms:
(1R,2R)-2-{[(3-chlorophenyl)sulfanyl]methyl}-N-(cyanomethyl)cyclohexane-1-carboxamide | Cyclohexanecarboxamide derivative, 12l | racemic mixture
Type:
Small organic molecule
Emp. Form.:
C16H19ClN2OS
Mol. Mass.:
322.853
SMILES:
Clc1cccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)c1 |r|