Complexes after comparative docking

Receptor: model based on 4MUK chain:B
& 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
2DV_B_12 0.000 9.0 0.64 35.4 [5-METHOXY-2-({[4-(TRIFLUOROMETHYL)BENZYL]SULFONYL}CARBAMOYL)-1H-INDOL-1-YL]ACETIC ACID 4MUK Raw