Complexes after comparative docking

Receptor: model based on 1RL4 chain:B
& 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
BRR_B_7 0.000 4.2 0.55 71.2 (2R)-2-{[FORMYL(HYDROXY)AMINO]METHYL}HEXANOIC ACID 1RL4 Raw