Complexes after comparative docking

Receptor: model based on 3H0A chain:D
& 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
D30_D_6 0.000 11.2 0.77 59.4 [(4-{[2-(PENT-2-YN-1-YLOXY)-4-{[4-(TRIFLUOROMETHYL)PHENOXY]METHYL}PHENYL]SULFANYL}-5,6,7,8-TETRAHYDRONAPHTHALEN-1-YL)OXY]ACETIC ACID 3H0A Raw