Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCathepsin (B and K)
LigandBDBM50098575
Substrate/Competitorn/a
Meas. Tech.ChEMBL_216562
Ki 440±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 (B and K)
Name:Cathepsin (B and K)
Synonyms:APP secretase | APPS | Cathepsin B | Cathepsin B heavy chain | Cathepsin B light chain | Cathepsin B1
Type:Enzyme
Mol. Mass.:37819.69
Organism:Homo sapiens (Human)
Description:gi_63102437
Residue:339
Sequence:
MWQLWASLCCLLVLANARSRPSFHPLSDELVNYVNKRNTTWQAGHNFYNVDMSYLKRLCG
TFLGGPKPPQRVMFTEDLKLPASFDAREQWPQCPTIKEIRDQGSCGSCWAFGAVEAISDR
ICIHTNAHVSVEVSAEDLLTCCGSMCGDGCNGGYPAEAWNFWTRKGLVSGGLYESHVGCR
PYSIPPCEHHVNGSRPPCTGEGDTPKCSKICEPGYSPTYKQDKHYGYNSYSVSNSEKDIM
AEIYKNGPVEGAFSVYSDFLLYKSGVYQHVTGEMMGGHAIRILGWGVENGTPYWLVANSW
NTDWGDNGFFKILRGQDHCGIESEVVAGIPRTDQYWEKI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50098575
n/a
NameBDBM50098575
Synonyms:CHEMBL281086 | {1-[4-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-3-oxo-piperidine-1-carbonyl]-3-methyl-butyl}-carbamic acid benzyl ester
TypeSmall organic molecule
Emp. Form.C33H44N4O7
Mol. Mass.608.7251
SMILESCC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: