Complexes after comparative docking

Receptor: model based on 3LMP 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
CEK_A_3 0.000 9.1 0.63 62.5 (9AS)-8-ACETYL-1,7-DIHYDROXY-3-METHOXY-9A-METHYL-N-(1-NAPHTHYLMETHYL)-9-OXO-9,9A-DIHYDRODIBENZO[B,D]FURAN-4-CARBOXAMIDE 3LMP Raw