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Ligand · 64I

64I · 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol

64I, 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol (C12 H2 F8 O2, 330.1 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
64I
Formula
C12 H2 F8 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

64I in 4 structures; the first of them:

  • 4ICC · Crystal structure of human AKR1B10 complexed with NADP+ and JF0064 · 64I X402 · binds TRP21, TYR49, TRP80, HIS111, TRP112, PRO219, TRP220, ALA298 and 3 more
  • 4IGS · Crystal structure of human Aldose Reductase complexed with NADP+ and JF0064 · 64I A402 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, PHE122, TRP219 and 5 more
  • 4ICC · Crystal structure of human AKR1B10 complexed with NADP+ and JF0064 · 64I X402 · binds TRP21, TYR49, TRP80, HIS111, TRP112, PRO219, TRP220, ALA298 and 3 more
  • 4IGS · Crystal structure of human aldose reductase complexed with NADP+ and JF0064 · 64I A402 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, PHE122, TRP219 and 5 more

Residues it binds most

TRP 4, LEU 4, ALA 4, CYS 4, HIS 4, TYR 4, VAL 2, ASN 2, PHE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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