Complexes after comparative docking

Receptor: model based on 4E26 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
734_A_3 0.000 5.1 0.6 58.1 5-CHLORO-7-[(R)-FURAN-2-YL(PYRIDIN-2-YLAMINO)METHYL]QUINOLIN-8-OL 4E26 Raw