Complexes after comparative docking

Receptor: model based on 3LFQ 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
A28_A_2 0.000 5.9 0.58 78.6 N-(6,7-DIFLUORO-5-PHENYL-1H-INDAZOL-3-YL)BUTANAMIDE 3LFQ Raw