Complexes after comparative docking

Receptor: model based on 2QD5 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
PP9_A_11 0.000 5.2 0.32 89.9 PROTOPORPHYRIN IX 2QD5 Raw
ACY_A_17 0.000 3.0 0.28 29.4 ACETIC ACID 2QD5 Raw