Complexes after comparative docking

Receptor: model based on 3V5J 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
0F2_A_3 0.000 6.6 0.63 75.5 3-{4-[2-(MORPHOLIN-4-YL)ETHOXY]-2-(4LAMBDA~4~-THIENO[3,2-C]PYRAZOL-3-YL)-1H-INDOL-6-YL}PENTAN-3-OL 3V5J Raw