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TargetEndothiapepsin
LigandBDBM50226437
Substrate/Competitorn/a
Meas. Tech.ChEMBL_451972
Kd 220000±n/a nM
Citation Geschwindner, SOlsson, LLAlbert, JSDeinum, JEdwards, PDde Beer, TFolmer, RH Discovery of a novel warhead against beta-secretase through fragment-based lead generation. J Med Chem50:5903-11 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Endothiapepsin
Name:Endothiapepsin
Synonyms:Aspartate protease
Type:PROTEIN
Mol. Mass.:43247.42
Organism:Cryphonectria parasitica
Description:ChEMBL_451972
Residue:419
Sequence:
MSSPLKNALVTAMLAGGALSSPTKQHVGIPVNASPEVGPGKYSFKQVRNPNYKFNGPLSV
KKTYLKYGVPIPAWLEDAVQNSTSGLAERSTGSATTTPIDSLDDAYITPVQIGTPAQTLN
LDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYT
DTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKAS
LDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKS
TSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARI
VIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGATTPTLGFASK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50226437
NameBDBM50226437
Synonyms:2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4(3H)-ONE | 2-amino-6-phenethyl-3H-pyrimidin-4-one | 2-amino-6-phenethylpyrimidin-4(3H)-one | CHEMBL235821
TypeSmall organic molecule
Emp. Form.C12H13N3O
Mol. Mass.215.2511
SMILESNc1nc(CCc2ccccc2)cc(=O)[nH]1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a