Complexes after comparative docking

Receptor: model based on 2VWM 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
LZI_B_7 0.000 9.3 0.85 90.7 (4R)-4-{[(5-CHLOROTHIOPHEN-2-YL)CARBONYL]AMINO}-N-(CYCLOPROPYLMETHYL)-1-(2-{[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]AMINO}-2-OXOETHYL)-L-PROLINAMIDE 2VWM Raw