Complexes after comparative docking

Receptor: model based on 1T9C 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
1SM_B_10 0.000 3.6 0.45 100.0 METHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE 1T9C Raw
FAD_B_11 0.000 12.0 1 50.9 FLAVIN-ADENINE DINUCLEOTIDE 1T9C Raw