Complexes after comparative docking

Receptor: model based on 4JH7 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
1KM_A_6 0.000 3.3 0.74 100.0 (2R)-2-AZANYL-3-[(1R,2S)-2-OXIDANYL-1-PHOSPHONO-PROPYL]SULFANYL-PROPANOIC ACID 4JH7 Raw