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:
93.71
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
BEP_E_5
1DTL
C1_S1
-4.7
-
Raw
1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE
based on
1XFV
Atome Sc:
92.78
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
BEP_E_5
1DTL
C1_S1
-3.2
-
Raw
1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE
based on
1XFW
Atome Sc:
91.71
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
BEP_E_5
1DTL
C1_S1
-3.7
-
Raw
1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE
based on
1XFU
Atome Sc:
91.36
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
BEP_E_5
1DTL
C1_S1
-3.9
-
Raw
1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE