Complexes after comparative docking

Receptor: model based on 4DDM 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
0HO_B_9 0.000 2.9 0.61 14.1 2,1,3-BENZOTHIADIAZOLE-5-CARBOXYLIC ACID 4DDM Raw