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Target
Cathepsin S
Ligand
BDBM50208838
Substrate
n/a
Meas. Tech.
ChEMBL_443352 (CHEMBL893600)
Kd
23.1±n/a nM
Citation
 Bekkali, Y; Thomson, DS; Betageri, R; Emmanuel, MJ; Hao, MH; Hickey, E; Liu, W; Patel, U; Ward, YD; Young, ER; Nelson, R; Kukulka, A; Brown, ML; Crane, K; White, D; Freeman, DM; Labadia, ME; Wildeson, J; Spero, DM Identification of a novel class of succinyl-nitrile-based Cathepsin S inhibitors. Bioorg Med Chem Lett 17:2465-9 (2007) [PubMed]  Article 
Target
Name:
Cathepsin S
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:
Protein
Mol. Mass.:
37507.38
Organism:
Human
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM50208838
Synonyms:
(R)-N-((R)-3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-((2,3-dihydro-1H-inden-2-yl)methyl)-4-morpholino-4-oxobutanamide | CHEMBL231795
Type:
Small organic molecule
Emp. Form.:
C29H40N4O3
Mol. Mass.:
492.6529
SMILES:
O=C(C[C@@H](CC1Cc2ccccc2C1)C(=O)N[C@@]1(CCN(C1)C1CCCCC1)C#N)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: