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Ligand · BTO

BTO · 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid

BTO, 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid (C12 H11 N3 O5, 277.2 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 binds…

Component
BTO
Formula
C12 H11 N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

BTO in 2 structures; the first of them:

  • 2IKG · Aldose reductase complexed with nitrophenyl-oxadiazol type inhibitor at 1.43 A · BTO A317 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, THR113 and 10 more
  • 2IKG · Aldose reductase complexed with nitrophenyl-oxadiazol type inhibitor at 1.43 a · BTO A317 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, THR113 and 10 more

Residues it binds most

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

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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