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Target
Cathepsin K
Ligand
BDBM50169483
Substrate
n/a
Meas. Tech.
ChEMBL_619386 (CHEMBL1115812)
IC50
0.372±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:
BDBM50169483
Synonyms:
(R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutan-2-yl(S)-1,2-dioxo-1-((R)-1-phenylethylamino)heptan-3-ylcarbamate | CHEMBL188438 | [(S)-1-(1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid (R)-1-[5-(4-fluoro-phenyl)-[1,3,4]oxadiazol-2-ylmethyl]-2,2-dimethyl-propyl ester
Type:
Small organic molecule
Emp. Form.:
C30H37FN4O5
Mol. Mass.:
552.637
SMILES:
CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Structure:
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