Complexes after comparative docking

Receptor: model based on 4KQL 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
1SG_A_12 0.000 6.8 0.85 86.1 N-(4-{[3-(2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-5-METHOXYBENZOYL]AMINO}PHENYL)PYRIDINE-2-CARBOXAMIDE 4KQL Raw