Complexes after comparative docking

Receptor: model based on 1DKF 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
BMS_C_3 0.000 10.3 0.74 83.2 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2 ]BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID 1DKF Raw