Complexes after comparative docking

Receptor: model based on 3B24 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
B2J_B_5 0.000 3.3 0.39 73.4 4-(ETHYLSULFANYL)-6-METHYL-1,3,5-TRIAZIN-2-AMINE 3B24 Raw