Complexes after comparative docking

Receptor: model based on 4N97 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
2HU_A_3 0.000 4.0 0.55 50.9 5-NITRO-1H-INDOLE 4N97 Raw