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TargetBeta-secretase 1
LigandBDBM50128034
Substrate/Competitorn/a
Meas. Tech.ChEMBL_39223
Ki 0.320000±n/a nM
Citation Tounge, BAReynolds, CH Calculation of the binding affinity of beta-secretase inhibitors using the linear interaction energy method. J Med Chem46:2074-82 (2003) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Beta-secretase 1
Name:Beta-secretase 1
Synonyms:Aspartyl protease 2 | BACE1 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | Beta-site amyloid precursor protein cleaving enzyme 1 | Memapsin-2 | beta-Secretase (BACE-1) | beta-Secretase (BACE1)
Type:Protein
Mol. Mass.:55701.04
Organism:Homo sapiens (Human)
Description:P56817
Residue:501
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL
GLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGI
DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK
VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT
ILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC
HVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQW
CCLRCLRQQHDDFADDISLLK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50128034
n/a
NameBDBM50128034
Synonyms:4-[2-(5-{2-[2-(2-Amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-3-carboxy-propionylamino}-4-hydroxy-2,7-dimethyl-octanoylamino)-3-methyl-butyrylamino]-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid | CHEMBL264379
TypeSmall organic molecule
Emp. Form.C44H69N7O15
Mol. Mass.936.0566
SMILESCC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(Cc1ccccc1)C(O)=O
Structure
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