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Target
Cathepsin S
Ligand
BDBM25135
Substrate
BDBM19963
Meas. Tech.
Enzyme Inhibition Assay
pH
7±n/a
Temperature
295.15±n/a K
IC50
18±n/a nM
Citation
 Irie, O; Kosaka, T; Ehara, T; Yokokawa, F; Kanazawa, T; Hirao, H; Iwasaki, A; Sakaki, J; Teno, N; Hitomi, Y; Iwasaki, G; Fukaya, H; Nonomura, K; Tanabe, K; Koizumi, S; Uchiyama, N; Bevan, SJ; Malcangio, M; Gentry, C; Fox, AJ; Yaqoob, M; Culshaw, AJ Discovery of orally bioavailable cathepsin S inhibitors for the reversal of neuropathic pain. J Med Chem 51:5502-5 (2008) [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:
BDBM25135
Synonyms:
2-cyano-pyrropyrimidine, 7a | 7-(2-cyclohexylethyl)-6-[4-(4-acetylpiperazin-1-yl)-2-fluorophenoxymethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
Type:
Small organic molecule
Emp. Form.:
C28H33FN6O2
Mol. Mass.:
504.599
SMILES:
CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c(F)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM19963
Synonyms:
Cbz-Leu-Leu-Arg-AMC | Fluorogenic substrate | Z-Leu-Leu-Arg-AMC
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: