Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM19684
Substrate
BDBM19583
Meas. Tech.
Enzyme Inhibition Assay
Ki
>100000±n/a nM
Citation
Tully, DC; Liu, H; Chatterjee, AK; Alper, PB; Williams, JA; Roberts, MJ; Mutnick, D; Woodmansee, DH; Hollenbeck, T; Gordon, P; Chang, J; Tuntland, T; Tumanut, C; Li, J; Harris, JL; Karanewsky, DS Arylaminoethyl carbamates as a novel series of potent and selective cathepsin S inhibitors. Bioorg Med Chem Lett 16:5107-11 (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:
BDBM19684
Synonyms:
(2S)-1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl N-[(2S)-1-{[4-(trifluoromethoxy)phenyl]amino}propan-2-yl]carbamate | Arylaminoethyl carbamate, 15
Type:
Small organic molecule
Emp. Form.:
C24H28F3N3O5
Mol. Mass.:
495.4914
SMILES:
C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 |r|