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Target
Cathepsin K
Ligand
BDBM50188294
Substrate
n/a
Meas. Tech.
ChEMBL_379266 (CHEMBL853454)
Ki
4.8±n/a nM
Citation
 Setti, EL; Venkatraman, S; Palmer, JT; Xie, X; Cheung, H; Yu, W; Wesolowski, G; Robichaud, J Design and synthesis of tetracyclic nonpeptidic biaryl nitrile inhibitors of cathepsin K. Bioorg Med Chem Lett 16:4296-9 (2006) [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:
BDBM50188294
Synonyms:
(R)-4-methyl-2-[3'-(2-piperazin-1-ylmethyl-thiazol-4-yl)-biphenyl-3-yl]-pentanoic acid cyanomethyl-amide | CHEMBL213194
Type:
Small organic molecule
Emp. Form.:
C28H33N5OS
Mol. Mass.:
487.66
SMILES:
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(CN2CCNCC2)n1
Structure:
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