Complexes after comparative docking

Receptor: model based on 4MUN 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
2DZ_A_7 0.000 5.0 0.83 12.1 [5-METHOXY-2-({[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]SULFONYL}CARBAMOYL)-1H-INDOL-1-YL]ACETIC ACID 4MUN Raw