Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50179454
Substrate
n/a
Meas. Tech.
ChEMBL_341068 (CHEMBL866588)
IC50
1±n/a nM
Citation
 Barrett, DG; Catalano, JG; Deaton, DN; Hassell, AM; Long, ST; Miller, AB; Miller, LR; Ray, JA; Samano, V; Shewchuk, LM; Wells-Knecht, KJ; Willard, DH; Wright, LL Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors. Bioorg Med Chem Lett 16:1735-9 (2006) [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:
BDBM50179454
Synonyms:
(S)-4,4-dimethyl-2-oxo-1-(2-(trifluoromethyl)-1,3,4-thiadiazole-5-carbonyl)pyrrolidin-3-yl (S)-1-(1H-pyrazol-5-ylamino)-1,2-dioxoheptan-3-ylcarbamate | CHEMBL383211
Type:
Small organic molecule
Emp. Form.:
C21H24F3N7O6S
Mol. Mass.:
559.519
SMILES:
CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(CC1(C)C)C(=O)c1nnc(s1)C(F)(F)F)C(=O)C(=O)Nc1ccn[nH]1
Structure:
Search PDB for entries with ligand similarity: