Complexes after comparative docking

Receptor: model based on 3OY3 chain:A
& 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
XY3_A_3 0.000 11.4 0.73 52.6 5-[(5-{[4-{[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]METHYL}-3-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}-2-METHYLPHENYL)ETHYNYL]-1-METHYL-1H-IMIDAZOLE-2-CARBOXAMIDE 3OY3 Raw