Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM331546
Substrate
n/a
Meas. Tech.
Enzyme Assay
Ki
1470±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
More Info.:
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:
BDBM331546
Synonyms:
N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H-furo[3,2-b]pyrrol-4(5H)-yl)-1-cyclohexyl-2-oxoethyl)-5-(pyrimidin-2-yl)thiophene-2-carboxamide | US9725459, 9
Type:
Small organic molecule
Emp. Form.:
C23H25ClN4O4S
Mol. Mass.:
488.987
SMILES:
Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ncccn1)C1CCCCC1