Reaction Details
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Cathepsin K
Ligand
BDBM50306310
Substrate
n/a
Meas. Tech.
ChEMBL_609281 (CHEMBL1070042)
IC50
0.3±n/a nM
Citation
Isabel, E; Bateman, KP; Chauret, N; Cromlish, W; Desmarais, S; Duong, le T; Falgueyret, JP; Gauthier, JY; Lamontagne, S; Lau, CK; Léger, S; LeRiche, T; Lévesque, JF; Li, CS; Massé, F; McKay, DJ; Mellon, C; Nicoll-Griffith, DA; Oballa, RM; Percival, MD; Riendeau, D; Robichaud, J; Rodan, GA; Rodan, SB; Seto, C; Thérien, M; Truong, VL; Wesolowski, G; Young, RN; Zamboni, R; Black, WC The discovery of MK-0674, an orally bioavailable cathepsin K inhibitor. Bioorg Med Chem Lett 20:887-92 (2010) [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:
BDBM50306310
Synonyms:
(S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-((S)-2,2,2-trifluoro-1-(4-(4-methylthiazol-2-yl)phenyl)ethylamino)pentanamide | CHEMBL598298
Type:
Small organic molecule
Emp. Form.:
C22H24F4N4OS
Mol. Mass.:
468.511
SMILES:
Cc1csc(n1)-c1ccc(cc1)[C@H](N[C@@H](CC(C)(C)F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|
Structure:
