Complexes after comparative docking

Receptor: model based on 2Q93 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
B21_A_5 0.000 4.4 0.48 88.6 5-(2-METHOXYPHENYL)-2-FUROIC ACID 2Q93 Raw