Complexes after comparative docking

Receptor: model based on 3R0I 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
C0K_B_6 0.000 3.4 0.68 84.2 {(1S)-1-(3,4-DIFLUOROPHENYL)-4-[HYDROXY(METHYL)AMINO]-4-OXOBUTYL}PHOSPHONIC ACID 3R0I Raw