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Target
Cathepsin K
Ligand
BDBM50589639
Substrate
n/a
Meas. Tech.
ChEMBL_2193935 (CHEMBL5106295)
IC50
0.500000±n/a nM
Citation
 Ginnetti, AT; Paone, DV; Nanda, KK; Li, J; Busuek, M; Johnson, SA; Lu, J; Soisson, SM; Robinson, R; Fisher, J; Webber, A; Wesolowski, G; Ma, B; Duong, L; Carroll, S; Burgey, CS; Stachel, SJ Lead optimization of cathepsin K inhibitors for the treatment of Osteoarthritis. Bioorg Med Chem Lett 74:0 (2022) [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:
BDBM50589639
Synonyms:
CHEMBL5192725
Type:
Small organic molecule
Emp. Form.:
C30H30F3N5O3S
Mol. Mass.:
597.651
SMILES:
Fc1ccc(cc1)-n1cc(c(n1)[C@@H]1CCC(F)(F)C[C@H]1C(=O)NC1(CC1)C#N)-c1ccc(cc1)N1CCS(=O)(=O)CC1 |r|
Structure:
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