Complexes after comparative docking

Receptor: model based on 4ASX chain:B
& 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
6OJ_B_8 0.000 5.4 0.5 39.0 7,8-BIS(CHLORANYL)-9-METHYL-3,4-DIHYDRO-2H-PYRIDO[3,4-B]INDOL-1-ONE 4ASX Raw