Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM19791
Substrate
BDBM19485
Meas. Tech.
Enzyme Inhibition Assay
pH
5.5±n/a
Temperature
295.15±n/a K
IC50
3.8±n/a nM
Citation
Barrett, DG; Catalano, JG; Deaton, DN; Long, ST; McFadyen, RB; Miller, AB; Miller, LR; Samano, V; Tavares, FX; Wells-Knecht, KJ; Wright, LL; Zhou, HQ Acyclic, orally bioavailable ketone-based cathepsin K inhibitors. Bioorg Med Chem Lett 17:22-7 (2007) [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:
BDBM19791
Synonyms:
(2S)-3,3-dimethyl-1-[3-(pyridin-4-yl)-1H-pyrazol-1-yl]butan-2-yl N-[(3S)-2-oxo-1-(pyridine-2-sulfonamido)heptan-3-yl]carbamate | ketone analog, 3h
Type:
Small organic molecule
Emp. Form.:
C27H36N6O5S
Mol. Mass.:
556.677
SMILES:
CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccncc1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|