Target
Cathepsin K
Ligand
BDBM50313516
Substrate
n/a
Meas. Tech.
ChEMBL_617674 (CHEMBL1101470)
IC50
7400±n/a nM
Citation
 Rankovic, ZCai, JFradera, XDempster, MMistry, AMitchell, ALong, CHamilton, EKing, ABoucharens, SJamieson, CGillespie, JCumming, IUitdehaag, Jvan Zeeland, M Dioxo-triazines as a novel series of cathepsin K inhibitors. Bioorg Med Chem Lett 20:1488-90 (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:
BDBM50313516
Synonyms:
4-butyl-3,5-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile | CHEMBL1078994
Type:
Small organic molecule
Emp. Form.:
C15H13F3N4O2
Mol. Mass.:
338.2845
SMILES:
CCCCn1c(=O)c(nn(-c2cccc(c2)C(F)(F)F)c1=O)C#N
Structure:
Search PDB for entries with ligand similarity: