Complexes after comparative docking

Receptor: model based on 1MFP 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
IDN_K_11 0.000 7.2 0.61 93.2 (E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE 1MFP Raw
NAD_G_7 0.000 10.1 1 77.7 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 1MFP Raw