Complexes after comparative docking

Receptor: model based on 4N5V 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
FA0_A_6 0.000 3.9 0.59 86.5 2-AMINO-4-FLUOROBENZOIC ACID 4N5V Raw
PRP_A_3 0.000 6.9 1 47.3 ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID 4N5V Raw