Complexes after comparative docking

Receptor: model based on 3HYT 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
AGO_A_4 0.000 7.3 0.93 91.4 2-AMINO-9-(5-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOAMINO)PHOSPHORYL]OXY}PHOSPHORYL]-3-O-{[2-(METHYLAMINO)PHENYL]CARBONYL}-BETA-D-ERYTHRO-PENTOFURANOSYL-2-ULOSE)-1,9-DIHYDRO-6H-PURIN-6-ONE 3HYT Raw