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Ligand · 77K

77K · 5-(4-fluorophenyl)-2,3-dihydroxy-N-[(1-methylimidazol-4-yl)methyl]benzamide

77K, 5-(4-fluorophenyl)-2,3-dihydroxy-N-[(1-methylimidazol-4-yl)methyl]benzamide (C18 H16 F N3 O3, 341.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
77K
Formula
C18 H16 F N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

77K in 2 structures; the first of them:

  • 5P97 · rat catechol O-methyltransferase in complex with… · 77K A308 · binds TRP38, MET40, LYS46, TYR95, ASP141, HIS142, TRP143, LYS144 and 6 more
  • 5P97 · Rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2… · 77K A308 · binds TRP38, MET40, TYR95, ASP141, HIS142, TRP143, LYS144, ASP169 and 5 more

Residues it binds most

ASP 2, TRP 2, LYS 2, ASN 2, GLU 2, HIS 2, LEU 2, MET 2, PRO 2, TYR 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • NHE · 2-[N-cyclohexylamino]ethane sulfonic acid

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