7N4N

BACE-2 in complex with ligand 36

Summary for 7N4N

• Entry DOI: 10.2210/pdb7n4n/pdb
• Descriptor: Beta-secretase 2, Xaperone, N-{3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide, ... (5 entities in total)
• Functional Keywords: bace protease, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 2
• Total formula weight: 54927.60

Authors

Shaffer, P.L. (deposition date: 2021-06-04, release date: 2021-10-06, Last modification date: 2021-10-27)

• Primary citation: Rombouts, F.J.R.,Kusakabe, K.I.,Alexander, R.,Austin, N.,Borghys, H.,De Cleyn, M.,Dhuyvetter, D.,Gijsen, H.J.M.,Hrupka, B.,Jacobs, T.,Jerhaoui, S.,Lammens, L.,Leclercq, L.,Tsubone, K.,Ueno, T.,Morimoto, K.,Einaru, S.,Sumiyoshi, H.,Van den Bergh, A.,Vos, A.,Surkyn, M.,Teisman, A.,Moechars, D.; JNJ-67569762, A 2-Aminotetrahydropyridine-Based Selective BACE1 Inhibitor Targeting the S3 Pocket: From Discovery to Clinical Candidate.; J.Med.Chem., 64:14175-14191, 2021; PubMed: 34553934; DOI: 10.1021/acs.jmedchem.1c00935

Experimental method

X-RAY DIFFRACTION (1.41 Å)