Complexes after comparative docking

Receptor: model based on 3R7I 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
X9I_A_3 0.000 4.8 0.47 50.2 4-{[(2-CARBAMOYL-4-NITROPHENYL)AMINO]METHYL}BENZOIC ACID 3R7I Raw