Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCathepsin K
LigandBDBM19745
Substrate/CompetitorBDBM19485
Meas. Tech.Enzyme Inhibition Assay
pH7±n/a
Temperature295.15±n/a K
IC50 0.031±n/a nM
Km35000±n/a nM
Citation Altmann, EAichholz, RBetschart, CBuhl, TGreen, JIrie, OTeno, NLattmann, RTintelnot-Blomley, MMissbach, M 2-Cyano-pyrimidines: a new chemotype for inhibitors of the cysteine protease cathepsin K. J Med Chem50:591-4 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Cathepsin K
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:
MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIH
NLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVD
YRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGG
YMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVA
RVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGE
NWGNKGYILMARNKNNACGIANLASFPKM
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM19745
BDBM19485
NameBDBM19745
Synonyms:2-Cyano-pyrimidine, 17j | 2-cyano-4-[(2,2-dimethylpropyl)amino]-N-(2-{3-[2-(1H-imidazol-1-yl)ethoxy]-4-methoxyphenyl}ethyl)pyrimidine-5-carboxamide
TypeSmall organic molecule
Emp. Form.C25H31N7O3
Mol. Mass.477.5587
SMILESCOc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1OCCn1ccnc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: