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Ligand · 76S

76S · 5-(4-fluorophenyl)-2,3-dihydroxy-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide

76S, 5-(4-fluorophenyl)-2,3-dihydroxy-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide (C22 H18 F N5 O3, 419.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
76S
Formula
C22 H18 F N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

76S in 2 structures; the first of them:

  • 5P93 · humanized rat catechol O-methyltransferase in complex with single conformation of… · 76S A306 · binds TRP38, MET40, LYS46, GLY66, ALA67, TYR68, MET89, GLU90 and 14 more
  • 5P93 · Humanized rat catechol O-methyltransferase in complex with single conformation of… · 76S A306 · binds TRP38, MET40, GLY66, MET89, GLU90, ILE91, GLY117, ALA118 and 10 more

Residues it binds most

ASP 2, GLU 2, GLY 2, MET 2, TRP 2, ALA 2, LYS 2, ASN 2, HIS 2, ILE 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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