Complexes after comparative docking

Receptor: model based on 4CFU 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
2WC_A_5 0.000 6.5 0.5 86.7 3-[2-AZANYL-6-(CYCLOHEXYLMETHOXY)-7H-PURIN-8-YL]-2-METHYL-BENZOIC ACID 4CFU Raw