Complexes after comparative docking

Receptor: model based on 3FCK 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
FCK_B_2 0.000 3.8 0.4 94.2 3-({[3-({[(1E)-(2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL)METHYLIDENE]AMINO}OXY)PROPYL]AMINO}METHYL)BENZOIC ACID 3FCK Raw