Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM225147
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
1.8±n/a nM
Citation
 Nakajima, Y; Imada, S; Takasuna, Y; Aoyama, N; Nigawara, T; Shirakami, S; Shirai, F; Sato, J; Nakanishi, K; Kubo, K Nitrogen-containing bicyclic aromatic heterocyclic compound US Patent  US9328118 Publication Date 5/3/2016 
Target
Name:
Cathepsin S
Synonyms:
CATS_MOUSE | Cats | Ctss
Type:
Enzyme
Mol. Mass.:
38476.67
Organism:
Mus musculus (Mouse)
Description:
O70370
Residue:
340
Sequence:
MRAPGHAAIRWLFWMPLVCSVAMEQLQRDPTLDYHWDLWKKTHEKEYKDKNEEEVRRLIWEKNLKFIMIHNLEYSMGMHTYQVGMNDMGDMTNEEILCRMGALRIPRQSPKTVTFRSYSNRTLPDTVDWREKGCVTEVKYQGSCGACWAFSAVGALEGQLKLKTGKLISLSAQNLVDCSNEEKYGNKGCGGGYMTEAFQYIIDNGGIEADASYPYKATDEKCHYNSKNRAATCSRYIQLPFGDEDALKEAVATKGPVSVGIDASHSSFFFYKSGVYDDPSCTGNVNHGVLVVGYGTLDGKDYWLVKNSWGLNFGDQGYIRMARNNKNHCGIASYCSYPEI
  
Inhibitor
Name:
BDBM225147
Synonyms:
US9328118, 52
Type:
Small organic molecule
Emp. Form.:
C27H31F3N6O2
Mol. Mass.:
528.5692
SMILES:
CCN1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1
Structure:
Search PDB for entries with ligand similarity: