Complexes after comparative docking

Receptor: model based on 3MWK 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
8OP_B_6 0.000 4.0 0.74 90.1 [(2R,3S,4R,5R)-5-(6-AZANYL-8-OXO-7H-PURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE 3MWK Raw