4S1G

Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)carbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium

Summary for 4S1G

• Entry DOI: 10.2210/pdb4s1g/pdb
• Descriptor: Renin, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide, ... (4 entities in total)
• Functional Keywords: aspartic protease, blood preasure, angiotensinogen, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Secreted: P00797
• Total number of polymer chains: 2
• Total formula weight: 75825.45

Authors

Orth, P. (deposition date: 2015-01-13, release date: 2015-02-25, Last modification date: 2020-07-29)

• Primary citation: McKittrick, B.A.,Caldwell, J.P.,Bara, T.,Boykow, G.,Chintala, M.,Clader, J.,Czarniecki, M.,Courneya, B.,Duffy, R.,Fleming, L.,Giessert, R.,Greenlee, W.J.,Heap, C.,Hong, L.,Huang, Y.,Iserloh, U.,Josien, H.,Khan, T.,Korfmacher, W.,Liang, X.,Mazzola, R.,Mitra, S.,Moore, K.,Orth, P.,Rajagopalan, M.,Roy, S.,Sakwa, S.,Strickland, C.,Vaccaro, H.,Voigt, J.,Wang, H.,Wong, J.,Zhang, R.,Zych, A.; Iminopyrimidinones: A novel pharmacophore for the development of orally active renin inhibitors.; Bioorg.Med.Chem.Lett., 25:1592-1596, 2015; PubMed: 25728416; DOI: 10.1016/j.bmcl.2015.02.003

Experimental method

X-RAY DIFFRACTION (2.1 Å)