Complexes after comparative docking

Receptor: model based on 3DJ6 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
AK6_A_2 0.000 10.6 0.86 64.3 4-METHOXY-N-PHENYL-3-({3-[(1H-PYRROLO[2,3-B]PYRIDIN-5-YLMETHYL)SULFANYL]PROPANOYL}AMINO)BENZAMIDE 3DJ6 Raw