Complexes after comparative docking

Receptor: model based on 4MUL 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
2DW_B_13 0.000 7.6 0.66 46.5 {5-METHOXY-2-[(NAPHTHALEN-2-YLSULFONYL)CARBAMOYL]-1H-INDOL-1-YL}ACETIC ACID 4MUL Raw