Target
Cathepsin K
Ligand
BDBM50273176
Substrate
n/a
Meas. Tech.
ChEMBL_509760 (CHEMBL997029)
IC50
15±n/a nM
Citation
 Irie, OYokokawa, FEhara, TIwasaki, AIwaki, YHitomi, YKonishi, KKishida, MToyao, AMasuya, KGunji, HSakaki, JIwasaki, GHirao, HKanazawa, TTanabe, KKosaka, THart, TWHallett, A 4-Amino-2-cyanopyrimidines: novel scaffold for nonpeptidic cathepsin S inhibitors. Bioorg Med Chem Lett 18:4642-6 (2008) [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:
BDBM50273176
Synonyms:
2-cyano-4-(cyclohexylmethylamino)-N-phenethylpyrimidine-5-carboxamide | CHEMBL446283
Type:
Small organic molecule
Emp. Form.:
C21H25N5O
Mol. Mass.:
363.4561
SMILES:
O=C(NCCc1ccccc1)c1cnc(nc1NCC1CCCCC1)C#N
Structure:
Search PDB for entries with ligand similarity: