Complexes after comparative docking

Receptor: model based on 3EFW chain:B
& Ligands found in homologous templates


Theoretical pKd : [ ‹nMol | ‹μMol | ‹mMol | ›mMol] - Values:

Score for Scwrl (Unconserved side chains of binding site are recalculated) model :

Result RMS (ca) pKd Avg. Q PSim Ligand Name : Origin Transfer
AK8_B_5 0.000 9.5 0.69 81.9 1-[3-METHYL-4-({3-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PYRIDIN-2-YL}OXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA 3EFW Raw