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Target
Beta-secretase 1
Ligand
BDBM15791
Substrate
MBPAPPC125
Meas. Tech.
BACE Enzyme Inhibition Assay
pH
4.8±n/a
Temperature
310.15±n/a K
IC50
68000±n/a nM
Citation
 Maillard, MC; Hom, RK; Benson, TE; Moon, JB; Mamo, S; Bienkowski, M; Tomasselli, AG; Woods, DD; Prince, DB; Paddock, DJ; Emmons, TL; Tucker, JA; Dappen, MS; Brogley, L; Thorsett, ED; Jewett, N; Sinha, S; John, V Design, synthesis, and crystal structure of hydroxyethyl secondary amine-based peptidomimetic inhibitors of human beta-secretase. J Med Chem 50:776-81 (2007) [PubMed]  Article 
Target
Name:
Beta-secretase 1
Synonyms:
ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | Beta-secretase (BACE) | Beta-secretase 1 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | Beta-site APP cleaving enzyme 1 | Beta-site amyloid precursor protein cleaving enzyme 1 | KIAA1149 | Memapsin-2 | Membrane-associated aspartic protease 2 | beta-Secretase (BACE-1) | beta-Secretase (BACE1)
Type:
Protein
Mol. Mass.:
55755.10
Organism:
Homo sapiens (Human)
Description:
P56817
Residue:
501
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM15791
Synonyms:
3-N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(1S)-1-[(2-methylpropyl)carbamoyl]ethyl]amino}butan-2-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide | N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({(1S)-1-methyl-2-[(2-methylpropyl)amino]-2-oxoethyl}amino)propyl]-N,N-dipropylbenzene-1,3-dicarboxamide | hydroxyethyl secondary amine (HEA) inhibitor 2
Type:
Small organic molecule
Emp. Form.:
C31H44F2N4O4
Mol. Mass.:
574.7023
SMILES:
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CN[C@@H](C)C(=O)NCC(C)C |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
MBPAPPC125
Synonyms:
A4 | A4_HUMAN | AD1 | APP | MBP-C125
Type:
Other Protein Type
Mol. Mass.:
13932.72
Organism:
Homo sapiens (Human)
Description:
It is the fusion protein containing the maltose-binding protein at the N-terminal end connected to the carboxyl-terminal 125 amino acids of APP (amyloid precursor protein).
Residue:
125
Sequence:
ADRGLTTRPGSGLTNIKTEEISEVKMDAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIATVIVITLVMLKKKQYTSIHHGVVEVDAAVTPEERHLSKMQQNGYENPTYKFFEQMQN