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Ligand · EGU

EGU · 4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid

EGU, 4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid (C21 H16 Cl2 F N3 O4 S, 496.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
EGU
Formula
C21 H16 Cl2 F N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

EGU in 2 structures; the first of them:

  • 6LKE · in meso full-length rat KMO in complex with an inhibitor identified via DNA-encoded… · EGU A1004 · binds ASN55, ALA57, ARG85, TYR99, ILE106, LEU213, ILE215, MET222 and 10 more
  • 6LKE · In meso full-length rat kmo in complex with an inhibitor identified via DNA-encoded… · EGU A1004 · binds ASN55, ALA57, ARG85, TYR99, ILE106, LEU213, ILE215, MET222 and 10 more

Residues it binds most

ILE 4, PHE 4, ASN 4, LEU 4, TYR 4, ALA 4, ARG 4, GLY 4, MET 4, PRO 4 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • CL · Chloride ion
  • SO4 · Sulfate ion

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