Complexes after comparative docking

Receptor: model based on 4NIE chain:B
& 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_B_7 0.000 9.4 0.75 86.2 N-(4-{[BENZYL(PROPYL)AMINO]METHYL}PHENYL)-2-[4-(ETHYLSULFONYL)PHENYL]ACETAMIDE 4NIE Raw