IBI: N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide

IBI is a Ligand Of Interest in 7LEJ designated by the Author


Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter7LEJ_IBI_A_401Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter7LEJ_IBI_A_401Click 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 different 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
7LEJ_IBI_A_401 58% 21% 0.151 0.9291.85 1.45 10 1000100%1
5VBR_IBI_A_201 92% 20% 0.076 0.9681.39 1.97 6 1200100%1
5V67_IBI_A_201 71% 18% 0.112 0.9331.61 1.94 7 21 00100%1
3FC2_IBI_A_10 62% 21% 0.146 0.9381.31 1.98 5 1500100%0.9111
7LAK_IBI_A_201 41% 15% 0.207 0.9241.93 1.84 12 1700100%1
7N7N_IBI_A_501 7% 25% 0.318 0.7671.38 1.64 5 1020100%1