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Ligand · 4A2

4A2 · (2E)-2-(3-fluoranyl-4-methoxy-phenyl)imino-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxylic acid

4A2, (2E)-2-(3-fluoranyl-4-methoxy-phenyl)imino-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxylic acid (C23 H17 F4 N3 O3, 459.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
4A2
Formula
C23 H17 F4 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

4A2 in 2 structures; the first of them:

  • 3ZCW · Eg5 - New allosteric binding site · 4A2 A1366 · binds TYR104, LEU266, GLY268, SER269, GLU270, ASN271, ASN287, ILE288 and 14 more
  • 3ZCW · EG5 - new allosteric binding site · 4A2 A1366 · binds TYR104, LEU266, GLY268, SER269, GLU270, ASN271, ASN287, ILE288 and 14 more

Residues it binds most

LEU 4, ILE 4, ALA 4, ASN 4, ARG 4, GLU 4, GLY 4, LYS 2, SER 4, THR 2 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • MG · Magnesium ion
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
  • PEG · Di(hydroxyethyl)ether

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