Complexes after comparative docking

Receptor: model based on 4CX3 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
GOL_B_12 0.000 2.5 0.35 0.0 GLYCEROL 4CX3 Raw
HEM_B_8 0.000 11.2 0.36 65.4 PROTOPORPHYRIN IX CONTAINING FE 4CX3 Raw