Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50560489
Substrate
n/a
Meas. Tech.
ChEMBL_2072252 (CHEMBL4727786)
Ki
52±n/a nM
Citation
 Lemke, C; Cianni, L; Feldmann, C; Gilberg, E; Yin, J; Dos Reis Rocho, F; de Vita, D; Bartz, U; Bajorath, J; Montanari, CA; Gütschow, M N-Sulfonyl dipeptide nitriles as inhibitors of human cathepsin S: In silico design, synthesis and biochemical characterization. Bioorg Med Chem Lett 30:0 (2020) [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:
BDBM50560489
Synonyms:
CHEMBL4799671
Type:
Small organic molecule
Emp. Form.:
C16H20ClN3O3S
Mol. Mass.:
369.866
SMILES:
CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NC1(CC1)C#N |r|
Structure:
Search PDB for entries with ligand similarity: