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Target
Cathepsin K
Ligand
BDBM50098577
Substrate
n/a
Meas. Tech.
ChEMBL_935499 (CHEMBL2319558)
Ki
0.160000±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:
BDBM50098577
Synonyms:
Benzofuran-2-carboxylic acid {3-methyl-1-[3-oxo-1-(pyridine-2-sulfonyl)-azepan-4-ylcarbamoyl]-butyl}-amide | CHEMBL31674
Type:
Small organic molecule
Emp. Form.:
C26H30N4O6S
Mol. Mass.:
526.605
SMILES:
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1
Structure:
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