Complexes after comparative docking

Receptor: model based on 3OIG 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
IMJ_A_3 0.000 8.8 0.59 87.4 (2E)-N-[(1,2-DIMETHYL-1H-INDOL-3-YL)METHYL]-N-METHYL-3-(7-OXO-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-3-YL)PROP-2-ENAMIDE 3OIG Raw
NAD_A_2 0.000 7.6 0.99 77.7 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 3OIG Raw