Complexes after comparative docking

Receptor: model based on 4B8L 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
A0P_A_3 0.000 5.2 0.91 63.2 9-{5-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOAMINO)PHOSPHORYL]OXY}PHOSPHORYL]-ALPHA-L-ARABINOFURANOSYL}-9H-PURIN-6-AMINE 4B8L Raw