Complexes after comparative docking

Receptor: model based on 4MUI 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
2DQ_A_7 0.000 7.6 0.78 49.3 (5-METHOXY-2-{[(4-METHOXYPHENYL)SULFONYL]CARBAMOYL}-1H-INDOL-1-YL)ACETIC ACID 4MUI Raw