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Target
Cathepsin S
Ligand
BDBM50323085
Substrate
n/a
Meas. Tech.
ChEMBL_643701 (CHEMBL1212565)
IC50
10±n/a nM
Citation
 Cai, J; Bennett, DJ; Rankovic, Z; Dempster, M; Fradera, X; Gillespie, J; Cumming, I; Finlay, W; Baugh, M; Boucharens, S; Bruin, J; Cameron, KS; Hamilton, W; Kerr, J; Kinghorn, E; McGarry, G; Robinson, J; Scullion, P; Uitdehaag, JC; van Zeeland, M; Potin, D; Saniere, L; Fouquet, A; Chevallier, F; Deronzier, H; Dorleans, C; Nicolai, 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:
BDBM50323085
Synonyms:
4-(4-methyl-3-(trifluoromethyl)phenyl)-6-propylpyrimidine-2-carbonitrile | CHEMBL1209448
Type:
Small organic molecule
Emp. Form.:
C16H14F3N3
Mol. Mass.:
305.2977
SMILES:
CCCc1cc(nc(n1)C#N)-c1ccc(C)c(c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: