Complexes after comparative docking

Receptor: model based on 2Y5S 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
78H_B_16 0.000 6.0 0.81 89.9 7,8-DIHYDROPTEROATE 2Y5S Raw