Complexes after comparative docking

Receptor: model based on 4J59 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
671_A_2 0.000 7.8 0.73 100.0 1-(4-AMINOBENZYL)-3-{2-[(2R)-2-(NAPHTHALEN-1-YL)PYRROLIDIN-1-YL]-2-OXOETHYL}UREA 4J59 Raw