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Target
Cathepsin K
Ligand
BDBM50426139
Substrate
n/a
Meas. Tech.
ChEMBL_935505 (CHEMBL2319564)
IC50
3400±n/a nM
Citation
 Schröder, J; Klinger, A; Oellien, F; Marhöfer, RJ; Duszenko, M; Selzer, PM Docking-based virtual screening of covalently binding ligands: an orthogonal lead discovery approach. J Med Chem 56:1478-90 (2013) [PubMed]  Article 
Target
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:
MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNKNNACGIANLASFPKM
  
Inhibitor
Name:
BDBM50426139
Synonyms:
CHEMBL1620957
Type:
Small organic molecule
Emp. Form.:
C22H25NO3
Mol. Mass.:
351.4388
SMILES:
O=C1C2CCN(CC2)C1Cc1ccc(OCCOc2ccccc2)cc1 |TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(8.26,7.33,;7.06,6.38,;5.68,7,;4.18,6.34,;4.38,4.93,;5.95,5.6,;6.21,7.54,;5.75,8.67,;7.34,4.95,;8.3,3.74,;7.73,2.31,;8.68,1.1,;8.11,-.33,;6.58,-.55,;6.01,-1.98,;6.96,-3.19,;6.39,-4.62,;7.35,-5.83,;6.77,-7.26,;7.73,-8.47,;7.16,-9.9,;5.63,-10.12,;4.68,-8.91,;5.25,-7.48,;5.63,.66,;6.2,2.09,)|
Structure:
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