Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM138499
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
3.5±n/a
Temperature
298.15±n/a K
IC50
5300±n/a nM
Comments
extracted
Citation
 Anderskewitz, R; Grauert, M; Grundl, M; Oost, T; Pautsch, A; Peters, S Substituted 2-aza-bicyclo[2.2.2]octane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C US Patent  US8877775 Publication Date 11/4/2014 
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:
BDBM138499
Synonyms:
US8877775, 10 | US9073869, 10
Type:
Small organic molecule
Emp. Form.:
C24H27N3O3S
Mol. Mass.:
437.554
SMILES:
CS(=O)(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)cc1 |r,wU:19.19,wD:15.16,(6.57,-.59,;7.34,-1.93,;8.67,-1.15,;8.11,-3.26,;6,-2.69,;6,-4.23,;4.67,-5,;3.33,-4.23,;3.33,-2.69,;4.67,-1.93,;2,-1.93,;.67,-2.69,;-.67,-1.93,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-4.67,.38,;-6,2.69,;-7.34,1.93,;-8.67,2.69,;-8.67,4.23,;-7.34,5,;-6,4.23,;-6.77,2.9,;-7.9,4.03,;-.67,2.69,;.67,3.47,;.67,.38,;2,-.38,)|
Structure:
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