Complexes after comparative docking

Receptor: model based on 4MUF 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
2DJ_A_5 0.000 7.9 0.76 46.5 (2-{[(4-TERT-BUTYLPHENYL)SULFONYL]CARBAMOYL}-5-METHOXY-1H-INDOL-1-YL)ACETIC ACID 4MUF Raw