Complexes after comparative docking

Receptor: model based on 3H7R 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
NAP_A_2 0.000 3.0 0.47 86.2 NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 3H7R Raw
EDO_A_15 0.000 2.8 0.32 23.2 1,2-ETHANEDIOL 3H7R Raw