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Ligand · AFI

AFI · 2-[4-(4-chlorophenyl)cyclohexylidene]-3,4-dihydroxy-1(2H)-naphthalenone

AFI, 2-[4-(4-chlorophenyl)cyclohexylidene]-3,4-dihydroxy-1(2H)-naphthalenone (C22 H19 Cl O3, 366.8 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…

Component
AFI
Formula
C22 H19 Cl O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

AFI in 2 structures; the first of them:

  • 1UUM · Rat dihydroorotate dehydrogenase (DHOD)in complex with atovaquone · AFI A400 · binds ALA39, GLU40, MET43, PRO44, GLN47, PRO52, ALA55, HIS56 and 10 more
  • 1UUM · Rat dihydroorotate dehydrogenase (DHOD)IN complex with atovaquone · AFI A400 · binds ALA39, GLU40, MET43, PRO44, GLN47, PRO52, ALA55, HIS56 and 10 more

Residues it binds most

ALA 4, PRO 4, LEU 4, ARG 4, GLN 4, GLU 4, GLY 4, HIS 4, ILE 4, MET 4 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid
  • BOG · octyl beta-D-glucopyranoside

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