Bace-1 with Compound 3

Summary for 3IGB

DescriptorBeta-secretase 1, 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine (3 entities in total)
Functional Keywordsbace-1, amino-imidazoles, inhibitors, alternative splicing, aspartyl protease, disulfide bond, glycoprotein, hydrolase, membrane, polymorphism, protease, transmembrane, zymogen
Biological sourceHomo sapiens (human)
Cellular locationMembrane; Single-pass type I membrane protein P56817
Total number of polymer chains1
Total molecular weight46731.34
Olland, A.M. (deposition date: 2009-07-27, release date: 2009-11-03, Last modification date: 2011-07-13)
Primary citation
Malamas, M.S.,Erdei, J.,Gunawan, I.,Barnes, K.,Johnson, M.,Hui, Y.,Turner, J.,Hu, Y.,Wagner, E.,Fan, K.,Olland, A.,Bard, J.,Robichaud, A.J.
Aminoimidazoles as potent and selective human beta-secretase (BACE1) inhibitors
J.Med.Chem., 52:6314-6323, 2009
PubMed: 19757823 (PDB entries with the same primary citation)
DOI: 10.1021/jm9006752
MImport into Mendeley
Experimental method
NMR Information

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.23490.8%2.6%8.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution