Complexes after comparative docking

Receptor: model based on 4MUH 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
2DN_A_5 0.000 6.7 0.9 18.1 [2-({[5-(ACETYLAMINO)-1,3,4-THIADIAZOL-2-YL]SULFONYL}CARBAMOYL)-5-METHOXY-1H-INDOL-1-YL]ACETIC ACID 4MUH Raw