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Target
Cathepsin K
Ligand
BDBM19855
Substrate
n/a
Meas. Tech.
ChEMBL_325792 (CHEMBL862698)
Ki
1.4±n/a nM
Citation
Palmer, JT; Bryant, C; Wang, DX; Davis, DE; Setti, EL; Rydzewski, RM; Venkatraman, S; Tian, ZQ; Burrill, LC; Mendonca, RV; Springman, E; McCarter, J; Chung, T; Cheung, H; Janc, JW; McGrath, M; Somoza, JR; Enriquez, P; Yu, ZW; Strickley, RM; Liu, L; Venuti, MC; Percival, MD; Falgueyret, JP; Prasit, P; Oballa, R; Riendeau, D; Young, RN; Wesolowski, G; Rodan, SB; Johnson, C; Kimmel, DB; Rodan, G Design and synthesis of tri-ring P3 benzamide-containing aminonitriles as potent, selective, orally effective inhibitors of cathepsin K. J Med Chem 48:7520-34 (2005) [PubMed] Article
More Info.:
Target
Name:
Cathepsin K
Synonyms:
CATK_RABIT | CTSK
Type:
Enzyme
Mol. Mass.:
36879.51
Organism:
Oryctolagus cuniculus (rabbit)
Description:
n/a
Residue:
329
Sequence:
MWGLKVLLLPVVSFALHPEEILDTQWELWKKTYSKQYNSKVDEISRRLIWEKNLKHISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPPSRSHSNDTLYIPDWEGRTPDSIDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENYGCGGGYMTNAFQYVQRNRGIDSEDAYPYVGQDESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDENCSSDNVNHAVLAVGYGIQKGNKHWIIKNSWGESWGNKGYILMARNKNNACGIANLASFPKM
Inhibitor
Name:
BDBM19855
Synonyms:
Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl) | N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-(4-propylpiperazin-1-yl)benzamide | basic piperazine-containing compound, 10
Type:
Small organic molecule
Emp. Form.:
C23H33N5O2
Mol. Mass.:
411.5404
SMILES:
CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N