Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM331589
Substrate
n/a
Meas. Tech.
Enzyme Assay
Ki
528±n/a nM
Citation
 Nardi, A; Ratcliffe, P; Craan, T; Hertrampf, T; Lesch, B; Kime, R; Steinhagen, H 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I US Patent  US9725459 Publication Date 8/8/2017 
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:
BDBM331589
Synonyms:
N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2H-furo[3,2-b]pyrrol-4(5H)-yl)- 1-cyclohexyl-2-oxoethyl)-4-fluoro-5- (pyridazin-3-yl)thiophene-2-carboxamide | US9725459, 54
Type:
Small organic molecule
Emp. Form.:
C23H24ClFN4O4S
Mol. Mass.:
506.977
SMILES:
Fc1cc(sc1-c1cccnn1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Structure:
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