Complexes after comparative docking

Receptor: model based on 2VVC 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
LZF_A_5 0.000 9.3 0.8 80.4 5-CHLORO-N-[(3S,4S)-1-(2-{[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]AMINO}-2-OXOETHYL)-4-METHOXYPYRROLIDIN-3-YL]THIOPHENE-2-CARBOXAMIDE 2VVC Raw