Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM19622
Substrate
BDBM19583
Meas. Tech.
Enzyme Inhibition Assay
Ki
286±n/a nM
Citation
Tully, DC; Liu, H; Alper, PB; Chatterjee, AK; Epple, R; Roberts, MJ; Williams, JA; Nguyen, KT; Woodmansee, DH; Tumanut, C; Li, J; Spraggon, G; Chang, J; Tuntland, T; Harris, JL; Karanewsky, DS Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: heterocyclic P3. Bioorg Med Chem Lett 16:1975-80 (2006) [PubMed] Article
More Info.:
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:
BDBM19622
Synonyms:
(2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyclohexyl-N-[(2S)-1-[(4-methoxyphenyl)amino]propan-2-yl]propanamide | Heterocyclic arylaminoethyl amide, 12a
Type:
Small organic molecule
Emp. Form.:
C26H33ClN4O3
Mol. Mass.:
485.018
SMILES:
COc1ccc(NC[C@H](C)NC(=O)[C@H](CC2CCCCC2)Nc2nc3cccc(Cl)c3o2)cc1 |r|