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Reaction Details
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TargetCathepsin S
LigandBDBM19631
Substrate/CompetitorBDBM19546
Meas. Tech.Enzyme Inhibition Assay
pH5.5±n/a
Temperature310.15±n/a K
Ki 5±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 Lett16:1975-80 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Cathepsin S
Name:Cathepsin S
Synonyms: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:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVM
LHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVD
WREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGC
NGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKE
AVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSW
GHNFGEEGYIRMARNKGNHCGIASFPSYPEI
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  Blast E-value cutoff:
BDBM19631
BDBM19546
NameBDBM19631
Synonyms:(2S)-2-(1,3-benzoxazol-2-ylamino)-N-[(2R)-1-(benzyloxy)-3-(5-fluoro-2,3-dihydro-1H-indol-1-yl)propan-2-yl]-3-cyclohexylpropanamide | Heterocyclic arylaminoethyl amide, 13c
TypeSmall organic molecule
Emp. Form.C34H39FN4O3
Mol. Mass.570.6969
SMILESFc1ccc2N(C[C@H](COCc3ccccc3)NC(=O)[C@H](CC3CCCCC3)Nc3nc4ccccc4o3)CCc2c1 |r|
Structure
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