Complexes after comparative docking

Receptor: model based on 1MFP 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
IDN_M_13 0.000 6.9 0.66 95.2 (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_I_9 0.000 10.2 1 74.8 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 1MFP Raw