2G20

Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring

Summary for 2G20

Related2G1N 2G1R 2G1O 2G1S 2G1Y 2G21 2G22 2G24 2G26 2G27
DescriptorRenin, N-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-1,3-THIAZOL-4-YL)-N-{(1R,2R,3S)-1-[(1R)-CYCLOHEX-3-EN-1-YLMETHYL]-2,3-DIHYDROXY-5-METHYLHEXYL}-L-ALANINAMIDE (3 entities in total)
Functional Keywordsprotein-ligand complexes, hydrolase
Biological sourceHomo sapiens (human)
Cellular locationSecreted P00797
Total number of polymer chains2
Total molecular weight74546.29
Authors
Holsworth, D.D.,Jalaiea, M.,Zhanga, E.,Mcconnella, P. (deposition date: 2006-02-15, release date: 2006-06-20, Last modification date: 2011-07-13)
Primary citation
Holsworth, D.D.,Cai, C.,Cheng, X.M.,Cody, W.L.,Downing, D.M.,Erasga, N.,Lee, C.,Powell, N.A.,Edmunds, J.J.,Stier, M.,Jalaie, M.,Zhang, E.,McConnell, P.,Ryan, M.J.,Bryant, J.,Li, T.,Kasani, A.,Hall, E.,Subedi, R.,Rahim, M.,Maiti, S.
Ketopiperazine-based renin inhibitors: optimization of the
Bioorg.Med.Chem.Lett., 16:2500-2504, 2006
PubMed: 16480874 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2006.01.084
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.4 Å)
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Structure validation

ClashscoreRamachandran outliersSidechain outliers201.1%6.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution