Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50426169
Substrate
n/a
Meas. Tech.
ChEMBL_935501 (CHEMBL2319560)
Ki
3.5±n/a nM
Citation
 Schröder, J; Klinger, A; Oellien, F; Marhöfer, RJ; Duszenko, M; Selzer, PM Docking-based virtual screening of covalently binding ligands: an orthogonal lead discovery approach. J Med Chem 56:1478-90 (2013) [PubMed]  Article 
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:
BDBM50426169
Synonyms:
CHEMBL2316589
Type:
Small organic molecule
Emp. Form.:
C26H29N3O4S
Mol. Mass.:
479.591
SMILES:
CC(C)CC(C(=O)NCC(=O)CNS(=O)(=O)c1ccccn1)c1cccc(c1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: