Target
Isoform C of Beta-secretase 1 (BACE-I-457)
Ligand
BDBM113393
Substrate
n/a
Meas. Tech.
BACE Assay
IC50
15.9±n/a nM
Citation
 Cacatian, SClaremon, DADillard, LWFuchs, KHeine, NJia, LLeftheris, KMcKeever, BMorales-Ramos, ASingh, SBVenkatraman, SWu, GWu, ZXu, ZYuan, JZheng, Y Inhibitors of beta-secretase US Patent  US8633212 Publication Date 1/21/2014 
Target
Name:
Isoform C of Beta-secretase 1 (BACE-I-457)
Synonyms:
BACE | BACE1 | BACE1_HUMAN | Beta-secretase 1 (BACE) | Beta-secretase 1 (BACE-I-457) | KIAA1149
Type:
Enzyme
Mol. Mass.:
51006.30
Organism:
Homo sapiens (Human)
Description:
P56817-3
Residue:
457
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM113393
Synonyms:
US10336717, Compound 579 | US8633212, 579 | US9212153, 579
Type:
Small organic molecule
Emp. Form.:
C18H22BrN3O2
Mol. Mass.:
392.29
SMILES:
CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@]22N=C(N)N(C)C2=O)CC1 |r,wD:5.5,14.16,2.1,t:17,(5.88,-3.1,;5.11,-1.77,;3.57,-1.77,;2.8,-.43,;1.26,-.43,;.49,-1.77,;-.41,-3.01,;-1.88,-2.54,;-3.21,-3.31,;-4.55,-2.54,;-4.55,-1,;-5.88,-.23,;-3.21,-.23,;-1.88,-1,;-.41,-.52,;-1.88,-.04,;-1.88,1.5,;-3.21,2.27,;-.41,1.97,;.36,3.31,;.49,.73,;2.03,.73,;1.26,-3.1,;2.8,-3.1,)|
Structure:
Search PDB for entries with ligand similarity: