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Target
Cathepsin K
Ligand
BDBM50139497
Substrate
n/a
Meas. Tech.
ChEMBL_619386 (CHEMBL1115812)
IC50
19.95±n/a nM
Citation
 Pan, X; Tan, N; Zeng, G; Huang, H; Yan, H 3D QSAR studies on ketoamides of human cathepsin K inhibitors based on two different alignment methods. Eur J Med Chem 45:667-81 (2010) [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:
BDBM50139497
Synonyms:
3,3-dimethylbutan-2-yl(S)-1,2-dioxo-1-((R)-1-phenylethylamino)heptan-3-ylcarbamate | CHEMBL164373 | [(S)-1-((R)-1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid 1,2,2-trimethyl-propyl ester
Type:
Small organic molecule
Emp. Form.:
C22H34N2O4
Mol. Mass.:
390.5164
SMILES:
CCCC[C@H](NC(=O)OC(C)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Structure:
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