Complexes after comparative docking

Receptor: model based on 4RX0 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
FMN_A_3 0.000 9.1 1 32.7 FLAVIN MONONUCLEOTIDE 4RX0 Raw
D65_A_2 0.000 5.4 0.47 100.0 2-(1,1-DIFLUOROETHYL)-5-METHYL-N-[4-(PENTAFLUORO-LAMBDA~6~-SULFANYL)PHENYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE 4RX0 Raw