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Target
Cathepsin K
Ligand
BDBM50255457
Substrate
n/a
Meas. Tech.
ChEMBL_515845 (CHEMBL1030544)
Ki
520±n/a nM
Citation
Ayesa, S; Lindquist, C; Agback, T; Benkestock, K; Classon, B; Henderson, I; Hewitt, E; Jansson, K; Kallin, A; Sheppard, D; Samuelsson, B Solid-phase parallel synthesis and SAR of 4-amidofuran-3-one inhibitors of cathepsin S: effect of sulfonamides P3 substituents on potency and selectivity. Bioorg Med Chem 17:1307-24 (2009) [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:
BDBM50255457
Synonyms:
CHEMBL474865 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-furan-3S-ylcarbamoyl)-2S-(1-methyl-cyclopentyl)-ethyl]-4-(3-fluoro-benzenesulfonylamino)-benzamide
Type:
Small organic molecule
Emp. Form.:
C28H34FN3O6S
Mol. Mass.:
559.649
SMILES:
CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 |r|