Complexes after comparative docking

Receptor: model based on 2Q94 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
A04_A_5 0.000 5.1 0.51 75.3 5-[2-(TRIFLUOROMETHOXY)PHENYL]-2-FUROIC ACID 2Q94 Raw