Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCathepsin S
LigandBDBM225213
Substrate/CompetitorBDBM225228
Meas. Tech.Inhibition Assay
IC50 1.0±n/a nM
Citation Nakajima, YImada, STakasuna, YAoyama, NNigawara, TShirakami, SShirai, FSato, JNakanishi, KKubo, K Nitrogen-containing bicyclic aromatic heterocyclic compound US Patent US9328118 Publication Date 5/3/2016
More Info.:Get all data from this article,  Assay Method
 
Cathepsin S
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:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVM
LHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVD
WREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGC
NGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKE
AVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSW
GHNFGEEGYIRMARNKGNHCGIASFPSYPEI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM225213
BDBM225228
NameBDBM225213
Synonyms:US9328118, 145
TypeSmall organic molecule
Emp. Form.C23H24F5N7O
Mol. Mass.509.475
SMILESCn1cnc2c(nc(nc12)C#N)-c1cnc(OCCC2CCN(CC2)C(CF)CF)c(c1)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: