Complexes after comparative docking

Receptor: model based on 3RPO 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
24Z_A_3 0.000 5.1 0.56 49.8 4-({4-CARBAMOYL-2-NITRO-5-[(PYRIDIN-3-YLMETHYL)AMINO]PHENYL}AMINO)BUTANOIC ACID 3RPO Raw