Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCathepsin K
LigandBDBM50066650
Substrate/Competitorn/a
Meas. Tech.ChEMBL_216705
Ki 22±n/a nM
Citation Marquis RWRu YLoCastro SMZeng JYamashita DSOh HJErhard KFDavis LDTomaszek TATew DSalyers KProksch JWard KSmith BLevy MCummings MDHaltiwanger RCTrescher GWang BHemling MEQuinn CJCheng HYLin FSmith WWJanson CAZhao BMcQueney MSD'Alessio KLee CPMarzulli ADodds RABlake SHwang SMJames IEGress CJBradley BRLark MWGowen MVeber DF Azepanone-based inhibitors of human and rat cathepsin K. J Med Chem 44:1380-95 (2001) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Cathepsin K
Name:Cathepsin K
Synonyms:CTSK | CTSO | CTSO2 | Cathepsin O | Cathepsin O2 | Cathepsin X
Type:Enzyme
Mol. Mass.:36975.68
Organism:Homo sapiens (Human)
Description:P43235
Residue:329
Sequence:
MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIH
NLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVD
YRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGG
YMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVA
RVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGE
NWGNKGYILMARNKNNACGIANLASFPKM
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50066650
n/a
NameBDBM50066650
Synonyms:1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL]AMINO]-2-PROPANONE | CHEMBL281540 | {(S)-1-[3-((S)-2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-2-oxo-propylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester | {1-[3-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-2-oxo-propylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester
TypeSmall organic molecule
Emp. Form.C31H42N4O7
Mol. Mass.582.6878
SMILESCC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: