Complexes after comparative docking

Receptor: model based on 2ZK5 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
NRO_A_3 0.000 5.1 0.67 56.9 3-[5-(2-NITROPENT-1-EN-1-YL)FURAN-2-YL]BENZOIC ACID 2ZK5 Raw