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TargetCathepsin S
LigandBDBM19634
Substrate/CompetitorBDBM19546
Meas. Tech.Enzyme Inhibition Assay
pH5.5±n/a
Temperature310.15±n/a K
Ki 12±n/a nM
Citation Tully DCLiu HAlper PBChatterjee AKEpple RRoberts MJWilliams JANguyen KTWoodmansee DHTumanut CLi JSpraggon GChang JTuntland THarris JLKaranewsky DS Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: heterocyclic P3. Bioorg Med Chem Lett 16:1975-80 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Cathepsin S
Name:Cathepsin S
Synonyms:CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:Protein
Mol. Mass.:37507.38
Organism:Homo sapiens (Human)
Description:P25774
Residue:331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVM
LHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVD
WREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGC
NGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKE
AVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSW
GHNFGEEGYIRMARNKGNHCGIASFPSYPEI
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  Blast E-value cutoff:
BDBM19634
BDBM19546
NameBDBM19634
Synonyms:(3S)-3-[(2S)-2-(1,3-benzoxazol-2-ylamino)-3-cyclohexylpropanamido]-4-(5-fluoro-2,3-dihydro-1H-indol-1-yl)butanoic acid | Heterocyclic arylaminoethyl amide, 13f
TypeSmall organic molecule
Emp. Form.C28H33FN4O4
Mol. Mass.508.5844
SMILESOC(=O)C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccccc2o1 |r|
Structure
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