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Ligand · 31D

31D · 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid

31D, 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid (C25 H24 N2 O4, 416.5 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
31D
Formula
C25 H24 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

31D in 2 structures; the first of them:

  • 4QE8 · FXR with DM175 and NCoA-2 peptide · 31D A1001 · binds PHE284, LEU287, THR288, MET290, ALA291, ASN293, HIS294, MET328 and 13 more
  • 4QE8 · Fxr with DM175 and ncoa-2 peptide · 31D A1001 · binds PHE284, LEU287, THR288, MET290, ALA291, ASN293, HIS294, MET328 and 13 more

Residues it binds most

MET 4, PHE 4, SER 4, ILE 4, TRP 4, ARG 4, ALA 4, HIS 4, LEU 4, THR 4 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • MRD · (4R)-2-methylpentane-2,4-diol

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