Complexes after comparative docking

Receptor: model based on 1B93 chain:C
& 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
FMT_N_14 0.000 3.0 0.43 0.0 FORMIC ACID 1B93 Raw
FMT_M_13 0.000 2.9 0.52 0.0 FORMIC ACID 1B93 Raw