Complexes after comparative docking

Receptor: model based on 4E4X 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
T1Q_A_3 0.000 9.9 0.87 74.4 N-(2,4-DIFLUORO-3-{2-[(3-HYDROXYPROPYL)AMINO]-8-METHYL-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL}PHENYL)PROPANE-1-SULFONAMIDE 4E4X Raw