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TargetCathepsin S
LigandBDBM25134
Substrate/CompetitorBDBM19963
Meas. Tech.Enzyme Inhibition Assay
pH7±n/a
Temperature295.15±n/a K
IC50 9±n/a nM
Citation Irie, OKosaka, TEhara, TYokokawa, FKanazawa, THirao, HIwasaki, ASakaki, JTeno, NHitomi, YIwasaki, GFukaya, HNonomura, KTanabe, KKoizumi, SUchiyama, NBevan, SJMalcangio, MGentry, CFox, AJYaqoob, MCulshaw, AJ Discovery of orally bioavailable cathepsin S inhibitors for the reversal of neuropathic pain. J Med Chem51:5502-5 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Cathepsin S
Name:Cathepsin S
Synonyms: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:
BDBM25134
NameBDBM25134
Synonyms:2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)-6-[4-(4-acetylpiperazin-1-yl)phenoxymethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile | CHEMBL481170
TypeSmall organic molecule
Emp. Form.C28H34N6O2
Mol. Mass.486.6086
SMILESCC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
BDBM19963
NameBDBM19963
Synonyms:Cbz-Leu-Leu-Arg-AMC | Fluorogenic substrate | Z-Leu-Leu-Arg-AMC
Typen/a
Emp. Form.n/a
Mol. Mass.n/a
SMILESn/a
Structure