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Target
Cathepsin S
Ligand
BDBM50208837
Substrate
n/a
Meas. Tech.
ChEMBL_443352 (CHEMBL893600)
Kd
13.8±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:
Homo sapiens (Human)
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM50208837
Synonyms:
(R)-N-((R)-3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-((4-methylcyclohexyl)methyl)-4-morpholino-4-oxobutanamide | CHEMBL234696
Type:
Small organic molecule
Emp. Form.:
C27H44N4O3
Mol. Mass.:
472.6633
SMILES:
CC1CCC(C[C@H](CC(=O)N2CCOCC2)C(=O)N[C@@]2(CCN(C2)C2CCCCC2)C#N)CC1 |wU:6.6,19.19,wD:19.32,(26.54,4.09,;25.2,3.32,;25.21,1.77,;23.88,1,;22.55,1.77,;21.23,.99,;21.24,-.56,;19.9,-1.32,;18.57,-.55,;18.57,.99,;17.23,-1.31,;15.9,-.54,;14.58,-1.31,;14.58,-2.85,;15.9,-3.62,;17.23,-2.85,;22.57,-1.32,;22.58,-2.86,;23.9,-.55,;25.24,-1.32,;24.77,-2.78,;26.01,-3.69,;27.26,-2.78,;26.78,-1.32,;28.72,-3.26,;29.03,-4.76,;30.49,-5.24,;31.64,-4.21,;31.32,-2.7,;29.85,-2.22,;25.98,.04,;26.71,1.4,;22.53,3.3,;23.87,4.08,)|
Structure:
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