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Target
Cathepsin S
Ligand
BDBM50463238
Substrate
n/a
Meas. Tech.
ChEMBL_1777939 (CHEMBL4234931)
Ki
30±n/a nM
Citation
 Tber, Z; Wartenberg, M; Jacques, JE; Roy, V; Lecaille, F; Warszycki, D; Bojarski, AJ; Lalmanach, G; Agrofoglio, LA Selective inhibition of human cathepsin S by 2,4,6-trisubstituted 1,3,5-triazine analogs. Bioorg Med Chem 26:4310-4319 (2018) [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:
BDBM50463238
Synonyms:
CHEMBL4238973
Type:
Small organic molecule
Emp. Form.:
C67H92N22O16S
Mol. Mass.:
1493.65
SMILES:
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(C)=O)C(=O)NNC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
Structure:
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