8AU3 | pdb_00008au3


3E8: 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile

3E8 is a Ligand Of Interest in 8AU3 designated by the Author
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Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter8AU3_3E8_B_1401Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter8AU3_3E8_B_1401Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0
Best-fitted instance in this entry
Created with Raphaël 2.3.0
Other instances in this entry
Created with Raphaël 2.3.0
Best-fitted instance in this entry
Created with Raphaël 2.3.0
Best-fitted PDB instances with same target (top 5)
IdentifierRanking for goodness of fit Ranking for geometry Real space R factor Real space correlation coefficient RMSZ-bond-length RMSZ-bond-angleOutliers of bond length Outliers of bond angle Atomic clashesStereochemical errorsModel completenessAverage occupancy
8AU3_3E8_B_1401 66% 31% 0.164 0.9710.95 1.77 2 1200100%1
8AU3_3E8_A_1401 65% 31% 0.166 0.9680.92 1.79 1 1200100%1
4R1V_3E8_A_1401 91% 37% 0.079 0.9671 1.45 2 700100%1
8AW1_3E8_B_1401 69% 39% 0.119 0.9340.78 1.56 1 1000100%1
8AU5_3E8_A_1401 44% 36% 0.21 0.9370.88 1.6 1 1100100%1