Complexes after comparative docking

Receptor: model based on 3EL8 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
PD5_A_3 0.000 8.0 0.68 80.6 1-{4-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENYL}-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA 3EL8 Raw