Complexes after comparative docking

Receptor: model based on 4QM1 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
39H_C_9 0.000 4.8 0.42 62.5 2-(3-METHYL-4-OXO-3,4-DIHYDROPHTHALAZIN-1-YL)-N-(6,7,8,9-TETRAHYDRODIBENZO[B,D]FURAN-2-YL)ACETAMIDE 4QM1 Raw