Complexes after comparative docking

Receptor: model based on 4K5M 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
1OV_A_7 0.000 3.2 0.57 91.0 [(1R)-1-AMINO-4-CARBAMIMIDAMIDOBUTYL]PHOSPHONIC ACID 4K5M Raw