Complexes after comparative docking

Receptor: model based on 4TVY 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
37R_B_6 0.000 3.4 0.45 37.3 5-(3,7-dihydroxy-10H-phenoxazin-2-yl)pentanamide 4TVY Raw
37R_B_5 0.000 2.2 0.28 45.5 5-(3,7-dihydroxy-10H-phenoxazin-2-yl)pentanamide 4TVY Raw