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Target
Cathepsin K
Ligand
BDBM50079596
Substrate
n/a
Meas. Tech.
ChEMBL_935499 (CHEMBL2319558)
Ki
10.0±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:
BDBM50079596
Synonyms:
((S)-1-{N'-[2-((S)-1-Benzyloxycarbonylamino-3-methyl-butyl)-thiazole-4-carbonyl]-hydrazinocarbonyl}-3-methyl-butyl)-carbamic acid benzyl ester | (1-{N'-[2-(1-Benzyloxycarbonylamino-3-methyl-butyl)-thiazole-4-carbonyl]-hydrazinocarbonyl}-3-methyl-butyl)-carbamic acid benzyl ester | CHEMBL57836 | N-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-3-METHYLBUTYL]THIAZOL-4-YLCARBONYL]-N'-(BENZYLOXYCARBONYL-L-LEUCINYL)HYDRAZIDE
Type:
Small organic molecule
Emp. Form.:
C31H39N5O6S
Mol. Mass.:
609.736
SMILES:
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1csc(n1)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Structure:
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