Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM31993
Substrate
n/a
Meas. Tech.
ChEMBL_581588 (CHEMBL1062475)
IC50
2511.89±n/a nM
Citation
 Bethel, PA; Gerhardt, S; Jones, EV; Kenny, PW; Karoutchi, GI; Morley, AD; Oldham, K; Rankine, N; Augustin, M; Krapp, S; Simader, H; Steinbacher, S Design of selective Cathepsin inhibitors. Bioorg Med Chem Lett 19:4622-5 (2009) [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:
BDBM31993
Synonyms:
Dipeptidyl nitrile inhibitor, 26
Type:
Small organic molecule
Emp. Form.:
C21H27N5O2
Mol. Mass.:
381.4714
SMILES:
Cc1cccc(C[C@H](NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1 |r|
Structure:
Search PDB for entries with ligand similarity: