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Ligand · 1DX

1DX · 4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid

1DX, 4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid (C35 H33 F4 N O5, 623.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every…

Component
1DX
Formula
C35 H33 F4 N O5
Class
ligand
Structures
2
PDB entries
2

Binding sites

1DX in 2 structures; the first of them:

  • 4IAE · Crystal structure of BAY 60-2770 bound to nostoc H-NOX domain · 1DX A201 · binds MET1, TYR2, LEU4, VAL5, GLY39, MET40, TRP74, THR78 and 23 more
  • 4IAH · Crystal Structure of BAY 60-2770 bound C139A H-NOX domain with S-nitrosylated conserved… · 1DX A201 · binds MET1, TYR2, LEU4, VAL5, GLY39, MET40, TRP74, THR78 and 22 more

Residues it binds most

LEU 4, MET 4, PHE 4, TYR 4, ARG 4, PRO 4, VAL 4, THR 4, GLY 4, HIS 4 (residue and the binding sites it lines).

Found with

  • MLI · Malonate ion

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