Complexes after comparative docking

Receptor: model based on 4OKG 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
2SZ_A_4 0.000 6.6 0.7 93.6 6-(1H-BENZIMIDAZOL-1-YL)-N-HYDROXY-5-[4-({6-[(4-METHYLPIPERAZIN-1-YL)METHYL]PYRIDIN-3-YL}ETHYNYL)PHENYL]PYRIDINE-3-CARBOXAMIDE 4OKG Raw