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Target
Endothiapepsin
Ligand
BDBM50226437
Substrate
n/a
Meas. Tech.
ChEMBL_451972 (CHEMBL901130)
Kd
220000±n/a nM
Citation
 Geschwindner, S; Olsson, LL; Albert, JS; Deinum, J; Edwards, PD; de Beer, T; Folmer, RH Discovery of a novel warhead against beta-secretase through fragment-based lead generation. J Med Chem 50:5903-11 (2007) [PubMed]  Article 
Target
Name:
Endothiapepsin
Synonyms:
Aspartate protease | CARP_CRYPA | EAPA | EPN-1
Type:
PROTEIN
Mol. Mass.:
43247.42
Organism:
Cryphonectria parasitica
Description:
ChEMBL_451972
Residue:
419
Sequence:
MSSPLKNALVTAMLAGGALSSPTKQHVGIPVNASPEVGPGKYSFKQVRNPNYKFNGPLSVKKTYLKYGVPIPAWLEDAVQNSTSGLAERSTGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGATTPTLGFASK
  
Inhibitor
Name:
BDBM50226437
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
Type:
Small organic molecule
Emp. Form.:
C12H13N3O
Mol. Mass.:
215.2511
SMILES:
Nc1nc(CCc2ccccc2)cc(=O)[nH]1
Structure:
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