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Ligand · W8X

W8X · {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid

W8X, {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid (C16 H13 Br Cl N O4, 398.6 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, the residues it…

Component
W8X
Formula
C16 H13 Br Cl N O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

W8X in 2 structures; the first of them:

  • 5LIK · Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK181 · W8X X402 · binds TRP21, VAL48, TYR49, HIS111, PHE123, PRO124, ARG125, ALA131 and 2 more
  • 5LIK · Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK181 · W8X X402 · binds TRP21, VAL48, TYR49, HIS111, PHE123, PRO124, ARG125, ALA131 and 2 more

Residues it binds most

ALA 2, ARG 2, GLN 2, HIS 2, LEU 2, PHE 2, PRO 2, TRP 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • EDO · 1,2-ethanediol

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