Complexes after comparative docking

Receptor: model based on 3H21 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
B52_A_3 0.000 2.4 0.86 87.0 (2R)-2-(7-AMINO-1-METHYL-4,5-DIOXO-1,4,5,6-TETRAHYDROPYRIMIDO[4,5-C]PYRIDAZIN-3-YL)PROPANOIC ACID 3H21 Raw