3INH

Bace1 with the aminohydantoin Compound R-58

Summary for 3INH

Entry DOI	10.2210/pdb3inh/pdb
Related	3IND 3INE 3INF
Descriptor	Beta-secretase 1, (5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one (3 entities in total)
Functional Keywords	bace1, xray, inhibitor, alternative splicing, aspartyl protease, disulfide bond, glycoprotein, hydrolase, membrane, polymorphism, protease, transmembrane, zymogen
Biological source	Homo sapiens (human)
Cellular location	Membrane; Single-pass type I membrane protein: P56817
Total number of polymer chains	1
Total formula weight	46886.35
Authors	Olland, A.M.,Chopra, R. (deposition date: 2009-08-12, release date: 2010-03-02, Last modification date: 2023-09-06)
Primary citation	Malamas, M.S.,Erdei, J.,Gunawan, I.,Turner, J.,Hu, Y.,Wagner, E.,Fan, K.,Chopra, R.,Olland, A.,Bard, J.,Jacobsen, S.,Magolda, R.L.,Pangalos, M.,Robichaud, A.J. Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors. J.Med.Chem., 53:1146-1158, 2010 Cited by PubMed: 19968289 DOI: 10.1021/jm901414e PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation