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TargetBeta-secretase 1
LigandBDBM50398691
Substrate/Competitorn/a
Meas. Tech.ChEMBL_874985 (CHEMBL2183861)
Ki 8±n/a nM
Citation Mandal, MZhu, ZCumming, JNLiu, XStrickland, CMazzola, RDCaldwell, JPLeach, PGrzelak, MHyde, LZhang, QTerracina, GZhang, LChen, XKuvelkar, RKennedy, MEFavreau, LCox, KOrth, PBuevich, AVoigt, JWang, HKazakevich, IMcKittrick, BAGreenlee, WParker, EMStamford, AW Design and validation of bicyclic iminopyrimidinones as beta amyloid cleaving enzyme-1 (BACE1) inhibitors: conformational constraint to favor a bioactive conformation. J Med Chem55:9331-45 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Beta-secretase 1
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:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL
GLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGI
DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK
VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT
ILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC
HVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQW
RCLRCLRQQHDDFADDISLLK
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  Blast E-value cutoff:
BDBM50398691
n/a
NameBDBM50398691
Synonyms:CHEMBL2178153
TypeSmall organic molecule
Emp. Form.C23H20N6OS
Mol. Mass.428.51
SMILESCN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccccn1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3|
Structure
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