Complexes after comparative docking

Receptor: model based on 4R5T 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
R5T_A_13 0.000 6.9 0.65 75.0 TERT-BUTYL {(1S)-2-(HYDROXYAMINO)-2-OXO-1-[4-(1H-PYRAZOL-1-YL)PHENYL]ETHYL}CARBAMATE 4R5T Raw