Complexes after comparative docking

Receptor: model based on 4BAE 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
RWX_B_8 0.000 7.6 0.52 74.2 2-[(3S,4R)-4-[(3-BROMANYL-4-CHLORANYL-5-METHYL-1H-PYRROL-2-YL)CARBONYLAMINO]-3-METHOXY-PIPERIDIN-1-YL]-4-(2-METHYL-1,2,4-TRIAZOL-3-YL)-1,3-THIAZOLE-5-CARBOXYLIC ACID 4BAE Raw