Target
Cathepsin K
Ligand
BDBM50201795
Substrate
n/a
Meas. Tech.
ChEMBL_1625295 (CHEMBL3867764)
Ki
163±n/a nM
Citation
 Aguda, AHLavallee, VCheng, PBott, TMMeimetis, LGLaw, SNguyen, NTWilliams, DEKaleta, JVillanueva, IDavies, JAndersen, RJBrayer, GDBrömme, D Affinity Crystallography: A New Approach to Extracting High-Affinity Enzyme Inhibitors from Natural Extracts. J Nat Prod 79:1962-70 (2016) [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:
BDBM50201795
Synonyms:
CHEMBL3972383
Type:
Small organic molecule
Emp. Form.:
C27H42N10O6
Mol. Mass.:
602.6858
SMILES:
CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC1CCCN(C(N)=N)C1=O |r|
Structure:
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