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Ligand · L68

L68 · 2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl) benzoic acid

L68, 2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl) benzoic acid (C23 H16 F2 N4 O3, 434.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
L68
Formula
C23 H16 F2 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

L68 in 2 structures; the first of them:

  • 6SC9 · dAb3/HOIP-RBR-HOIPIN-8 · L68 A2001 · binds CYS885, MET886, HIS887, LEU922, PHE932, ARG935, ASP936
  • 6SC9 · DAB3/HOIP-rbr-hoipin-8 · L68 A2001 · binds CYS885, MET886, HIS887, LEU922, PHE932, ARG935, ASP936

Residues it binds most

ARG 2, ASP 2, CYS 2, HIS 2, LEU 2, MET 2, PHE 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CL · Chloride ion
  • SO4 · Sulfate ion

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