Complexes after comparative docking

Receptor: model based on 3V04 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
V04_A_2 0.000 7.5 0.62 65.0 4-[(2-FLUORO-4-IODOPHENYL)AMINO]-N-(2-HYDROXYETHOXY)-1H-INDAZOLE-5-CARBOXAMIDE 3V04 Raw