Complexes after comparative docking

Receptor: model based on 2I2B 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
CC5_A_3 0.000 3.9 0.61 58.5 BETA-D-ERYTHROFURANOSYL-ADENOSINE 2I2B Raw
CC5_A_2 0.000 4.0 0.52 44.1 BETA-D-ERYTHROFURANOSYL-ADENOSINE 2I2B Raw