Study : T0647 (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: 160

(Click on Model to display complexes with selected ligand(s))

based on 1XFY Atome Sc:93.71Type: No conserved side chain are recalculated after transfer of ligand
Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information
BEP_E_51DTLC1_S1-4.7-Raw1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE

based on 1XFU Atome Sc:91.36Type: No conserved side chain are recalculated after transfer of ligand
Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information
BEP_E_51DTLC1_S1-3.9-Raw1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE

based on 1XFW Atome Sc:91.71Type: No conserved side chain are recalculated after transfer of ligand
Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information
BEP_E_51DTLC1_S1-3.7-Raw1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE

based on 1XFV Atome Sc:92.78Type: No conserved side chain are recalculated after transfer of ligand
Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information
BEP_E_51DTLC1_S1-3.2-Raw1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE