Target
Cathepsin S
Ligand
BDBM50313461
Substrate
n/a
Meas. Tech.
ChEMBL_643701 (CHEMBL1212565)
IC50
41±n/a nM
Citation
 Cai, JBennett, DJRankovic, ZDempster, MFradera, XGillespie, JCumming, IFinlay, WBaugh, MBoucharens, SBruin, JCameron, KSHamilton, WKerr, JKinghorn, EMcGarry, GRobinson, JScullion, PUitdehaag, JCvan Zeeland, MPotin, DSaniere, LFouquet, AChevallier, FDeronzier, HDorleans, CNicolai, E 2-Phenyl-9H-purine-6-carbonitrile derivatives as selective cathepsin S inhibitors. Bioorg Med Chem Lett 20:4447-50 (2010) [PubMed]  Article 
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:
BDBM50313461
Synonyms:
4-propyl-6-(3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile | CHEMBL1079000
Type:
Small organic molecule
Emp. Form.:
C15H12F3N3
Mol. Mass.:
291.2711
SMILES:
CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
Structure:
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