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Ligand · 76G

76G · 5-(4-fluorophenyl)-2,3-dihydroxy-N-(4-thieno[2,3-c]pyridin-2-ylbutyl)benzamide

76G, 5-(4-fluorophenyl)-2,3-dihydroxy-N-(4-thieno[2,3-c]pyridin-2-ylbutyl)benzamide (C24 H21 F N2 O3 S, 436.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5…

Component
76G
Formula
C24 H21 F N2 O3 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

76G in 1 structure; the first of them:

  • 5P92 · Humanized rat catechol O-methyltransferase in complex with 5-(4… · 76G A305 · binds TRP38, MET40, GLY66, MET89, GLU90, ILE91, GLY117, ALA118 and 11 more

Residues it binds most

ASP 1, GLU 1, GLY 1, MET 1, TRP 1, ALA 1, ASN 1, HIS 1, ILE 1, LEU 1 (residue and the binding sites it lines).

Found with

  • D1D · (4S,5S)-1,2-dithiane-4,5-diol
  • MG · Magnesium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • NHE · 2-[N-cyclohexylamino]ethane sulfonic acid

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