Complexes after comparative docking

Receptor: model based on 3PXZ 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
2AN_A_2 0.000 4.2 0.61 0.4 8-ANILINO-1-NAPHTHALENE SULFONATE 3PXZ Raw
JWS_A_4 0.000 5.4 0.78 46.7 2-(4,6-DIAMINO-1,3,5-TRIAZIN-2-YL)-4-METHOXYPHENOL 3PXZ Raw