Target
Cathepsin S
Ligand
BDBM315342
Substrate
n/a
Meas. Tech.
Cathepsin Enzyme Inhibition Assay
IC50
317±n/a nM
Citation
 Haap, WKuehne, HMauser, H Piperidine derivatives US Patent  US10172843 Publication Date 1/8/2019 
Target
Name:
Cathepsin S
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:
Protein
Mol. Mass.:
37507.38
Organism:
Homo sapiens (Human)
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM315342
Synonyms:
3-{1-[1-(2-Methoxy- ethyl)-5-methyl-2-(4- trifluoromethyl-phenyl)- 1H-imidazol-4- ylmethyl]-piperidin-4- yl}-3,4-dihydro-1H- quinazolin-2-one | US10172843, Example 76
Type:
Small organic molecule
Emp. Form.:
C28H32F3N5O2
Mol. Mass.:
527.5812
SMILES:
COCCn1c(C)c(CN2CCC(CC2)N2Cc3ccccc3NC2=O)nc1-c1ccc(cc1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: