Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM109851
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
Ki
38±0.0 nM
Citation
 Schudok, M; Wagner, M; Bauer, A; Kohlmann, A Spirocyclic nitriles as protease inhibitors US Patent  US8609681 Publication Date 12/17/2013 
Target
Name:
Cathepsin K
Synonyms:
CATK_HUMAN | CTSK | CTSO | CTSO2 | Cathepsin O | Cathepsin O2 | Cathepsin X
Type:
Enzyme
Mol. Mass.:
36975.68
Organism:
Homo sapiens (Human)
Description:
P43235
Residue:
329
Sequence:
MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNKNNACGIANLASFPKM
  
Inhibitor
Name:
BDBM109851
Synonyms:
US8609681, 78
Type:
Small organic molecule
Emp. Form.:
C22H26F2N4O3
Mol. Mass.:
432.4636
SMILES:
CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)OCc1ccccc21)C(=O)NC1(CC1)C#N |r|
Structure:
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