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TargetCathepsin K
LigandBDBM19746
Substrate/CompetitorBDBM19485
Meas. Tech.Enzyme Inhibition Assay
IC50 6±n/a nM
Citation Altmann, EAichholz, RBetschart, CBuhl, TGreen, JIrie, OTeno, NLattmann, RTintelnot-Blomley, MMissbach, M 2-Cyano-pyrimidines: a new chemotype for inhibitors of the cysteine protease cathepsin K. J Med Chem50:591-4 (2007) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Cathepsin K
Name:Cathepsin K
Synonyms:CATK_HUMAN | CTSK | CTSO | CTSO2 | Cathepsin O | Cathepsin O2 | Cathepsin X
Type:Enzyme
Mol. Mass.:36975.68
Organism:Homo sapiens (Human)
Description:P43235
Residue:329
Sequence:
MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIH
NLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVD
YRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGG
YMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVA
RVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGE
NWGNKGYILMARNKNNACGIANLASFPKM
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM19746
BDBM19485
NameBDBM19746
Synonyms:6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)ethyl]-9H-purine-2-carbonitrile | CHEMBL363847 | NVP-ABE854 | Purine lead structure, 1
TypeSmall organic molecule
Emp. Form.C19H28N8
Mol. Mass.368.4792
SMILESCN1CCN(CCn2cnc3c(NC4CCCCC4)nc(nc23)C#N)CC1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: