Complexes after comparative docking

Receptor: model based on 4GKM 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
PRP_A_3 0.000 6.4 0.94 35.9 ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID 4GKM Raw
683_A_6 0.000 3.9 0.46 71.8 2-[(2-CARBOXYPHENYL)AMINO]-5-METHYLBENZOIC ACID 4GKM Raw