Complexes after comparative docking

Receptor: model based on 4ORM 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
2V6_A_2 0.000 5.4 0.47 70.9 N-[3,5-DIFLUORO-4-(TRIFLUOROMETHYL)PHENYL]-5-METHYL-2-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE 4ORM Raw
FMN_A_3 0.000 10.0 1 32.7 FLAVIN MONONUCLEOTIDE 4ORM Raw