Complexes after comparative docking

Receptor: model based on 4EQU 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
G6I_A_3 0.000 12.4 0.59 42.2 N-{3-[(3-{4-[(4-METHOXYPHENYL)AMINO]-1,3,5-TRIAZIN-2-YL}PYRIDIN-2-YL)AMINO]-4-METHYLPHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE 4EQU Raw