Complexes after comparative docking

Receptor: model based on 3H23 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
B54_A_3 0.000 4.1 0.75 77.4 4-{3-[(2-AMINO-5-NITROSO-6-OXO-1,6-DIHYDROPYRIMIDIN-4-YL)AMINO]PROPOXY}BENZOIC ACID 3H23 Raw