Complexes after comparative docking

Receptor: model based on 3GGO chain:C
& 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
ENO_C_8 0.000 3.2 0.53 23.9 3-(4-HYDROXY-PHENYL)PYRUVIC ACID 3GGO Raw
NAI_C_9 0.000 8.3 0.88 95.7 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE 3GGO Raw