Complexes after comparative docking

Receptor: model based on 2Q85 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
FAD_A_3 0.000 12.7 1 35.2 FLAVIN-ADENINE DINUCLEOTIDE 2Q85 Raw
973_A_2 0.000 6.1 0.5 39.1 (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE 2Q85 Raw