Complexes after comparative docking

Receptor: model based on 3VRZ 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
VRZ_A_5 0.000 9.7 0.68 70.4 1-[4-(4-AMINO-7-CYCLOPENTYL-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)PHENYL]-3-BENZYLUREA 3VRZ Raw