Reaction Details  Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50464765
Substrate
n/a
Meas. Tech.
ChEMBL_1782365 (CHEMBL4253882)
Ki
800±n/a nM
Citation
 Galibert, M; Wartenberg, M; Lecaille, F; Saidi, A; Mavel, S; Joulin-Giet, A; Korkmaz, B; Brömme, D; Aucagne, V; Delmas, AF; Lalmanach, G Substrate-derived triazolo- and azapeptides as inhibitors of cathepsins K and S. Eur J Med Chem 144:201-210 (2018) [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:
BDBM50464765
Synonyms:
CHEMBL4279759
Type:
Small organic molecule
Emp. Form.:
C67H87N21O14
Mol. Mass.:
1410.54
SMILES:
NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)n1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)c2ccc(N)cc2)nn1)C(=O)N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(N)=O |r|
Structure:
Search PDB for entries with ligand similarity: