Complexes after comparative docking

Receptor: model based on 3B5J 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
12D_A_2 0.000 6.9 0.69 98.5 2 ,3 -O-[(1R,6R)-2,4,6-TRINITROCYCLOHEXA-2,4-DIENE-1,1-DIYL]ADENOSINE 5 -(TRIHYDROGEN DIPHOSPHATE) 3B5J Raw