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Table 1 Docking of CYP4X1 with selected ligands

From: Computational identification and binding analysis of orphan human cytochrome P450 4X1 enzyme with substrates

Ligand Free energy of binding (kcal /mol) Inhibition constant, Ki (uM) vdW+Hbond+desolv energy (kcal /mol) Electrostatic energy (kcal /mol) Total inter molec. energy (kcal/ mol) Interact. surface
Arachidonic acid −7.76 2.05 −10.87 +0.03 −10.84 813.954
Anandamide −5.76 59.98 −10.53 −0.03 −10.57 1042.601