Complexes after comparative docking

Receptor: model based on 3FCL 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
3FL_A_3 0.000 5.6 0.6 94.2 3-{[(4-{[(2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL)METHYL]AMINO}BUTYL)AMINO]METHYL}BENZOIC ACID 3FCL Raw