Complexes after comparative docking

Receptor: model based on 4NIE 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
NBH_A_5 0.000 9.1 0.75 88.2 N-(4-{[BENZYL(PROPYL)AMINO]METHYL}PHENYL)-2-[4-(ETHYLSULFONYL)PHENYL]ACETAMIDE 4NIE Raw