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Target
Cathepsin S
Ligand
BDBM50121548
Substrate
n/a
Meas. Tech.
ChEMBL_48674 (CHEMBL658345)
Kd
0.3±n/a nM
Citation
 Ward, YD; Thomson, DS; Frye, LL; Cywin, CL; Morwick, T; Emmanuel, MJ; Zindell, R; McNeil, D; Bekkali, Y; Girardot, M; Hrapchak, M; DeTuri, M; Crane, K; White, D; Pav, S; Wang, Y; Hao, MH; Grygon, CA; Labadia, ME; Freeman, DM; Davidson, W; Hopkins, JL; Brown, ML; Spero, DM; Giradot, M Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors. J Med Chem 45:5471-82 (2002) [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:
BDBM50121548
Synonyms:
CHEMBL153813 | MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE | Morpholine-4-carboxylic acid {1-[(benzyloxymethyl-cyano-methyl)-carbamoyl]-3-methyl-butyl}-amide
Type:
Small organic molecule
Emp. Form.:
C21H30N4O4
Mol. Mass.:
402.4873
SMILES:
CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](COCc1ccccc1)C#N
Structure:
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