Complexes after comparative docking

Receptor: model based on 3ZI0 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
FM8_A_3 0.000 4.6 0.68 74.6 [(1S)-1-(3,4-DICHLOROPHENYL)-3-{HYDROXY[2-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZOYL]AMINO}PROPYL]PHOSPHONIC ACID 3ZI0 Raw