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Ligand · LU1

LU1 · 4'-fluoro-4,5-dihydroxy-N-{(2E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-9H-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide

LU1, 4'-fluoro-4,5-dihydroxy-N-{(2E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-9H-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide (C26 H24 F N5 O5, 505.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
LU1
Formula
C26 H24 F N5 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

LU1 in 2 structures; the first of them:

  • 3R6T · Rat catechol o-methyltransferase in complex with the bisubstrate inhibitor… · LU1 A307 · binds TRP81, MET83, LYS89, GLY109, TYR111, MET132, GLU133, ILE134 and 16 more
  • 3R6T · Rat catechol O-methyltransferase in complex with the bisubstrate inhibitor… · LU1 A307 · binds TRP81, MET83, LYS89, GLY109, TYR111, MET132, GLU133, ILE134 and 16 more

Residues it binds most

ASN 2, ASP 2, GLU 2, GLY 2, LYS 2, MET 2, TRP 2, ALA 2, ARG 2, GLN 2 (residue and the binding sites it lines).

Found with

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

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