Study : T0752 (models@predictioncenter.org)

Best Complexes after Comparative Docking: Download: Best Ligands after Comparative Docking Ligand Type Selected for this Study : Small Molecules; Peptides; Sugar; Nucleic Acid; Ions. Number of Ligands Found in Study: 112 (Click on Model to display complexes with selected ligand(s))

based on 1IDP Atome Sc:79.79 Type: No conserved side chain are recalculated after transfer of ligand

Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information UNL_A_2 3EJV C2_S1 -3.9 - Raw UNKNOWN LIGAND MQ0_F_6 3STD C2_S1 -3.5 - Raw (3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3-DIPHENYL-ALLYLIDENE)-AMINE

based on 3STD Atome Sc:81.96 Type: No conserved side chain are recalculated after transfer of ligand

Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information UNL_A_2 3EJV C2_S1 -3.4 - Raw UNKNOWN LIGAND MQ0_F_6 3STD C2_S1 -3.1 - Raw (3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3-DIPHENYL-ALLYLIDENE)-AMINE

based on 2CHC Atome Sc:82.48 Type: No conserved side chain are recalculated after transfer of ligand

Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information UNL_A_2 3EJV C2_S1 -3.4 - Raw UNKNOWN LIGAND