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Reaction Details
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TargetCathepsin K
LigandBDBM19851
Substrate/CompetitorBDBM19480
Meas. Tech.Enzyme Inhibition Assay
IC50 0.58±n/a nM
Citation Crane, SNBlack, WCPalmer, JTDavis, DESetti, ERobichaud, JPaquet, JOballa, RMBayly, CIMcKay, DJSomoza, JRChauret, NSeto, CScheigetz, JWesolowski, GMassé, FDesmarais, SOuellet, M Beta-substituted cyclohexanecarboxamide: a nonpeptidic framework for the design of potent inhibitors of cathepsin K. J Med Chem49:1066-79 (2006) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Cathepsin K
Name:Cathepsin K
Synonyms:CATK_RABIT | CTSK
Type:Enzyme
Mol. Mass.:36879.51
Organism:Oryctolagus cuniculus (rabbit)
Description:n/a
Residue:329
Sequence:
MWGLKVLLLPVVSFALHPEEILDTQWELWKKTYSKQYNSKVDEISRRLIWEKNLKHISIH
NLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPPSRSHSNDTLYIPDWEGRTPDSID
YRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENYGCGGG
YMTNAFQYVQRNRGIDSEDAYPYVGQDESCMYNPTGKAAKCRGYREIPEGNEKALKRAVA
RVGPVSVAIDASLTSFQFYSKGVYYDENCSSDNVNHAVLAVGYGIQKGNKHWIIKNSWGE
SWGNKGYILMARNKNNACGIANLASFPKM
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  Blast E-value cutoff:
BDBM19851
BDBM19480
NameBDBM19851
Synonyms:(1R,2R)-5,5-dichloro-N-(cyanomethyl)-2-{2-[4-(methylsulfanyl)phenyl]phenyl}cyclohexane-1-carboxamide | Cyclohexanecarboxamide derivative, rac-34c | racemic mixture
TypeSmall organic molecule
Emp. Form.C22H22Cl2N2OS
Mol. Mass.433.394
SMILESCSc1ccc(cc1)-c1ccccc1[C@@H]1CCC(Cl)(Cl)C[C@H]1C(=O)NCC#N |r|
Structure
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