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Ligand · BIA

BIA · 1-(3,4,dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl) phenyl] piperazin-1-yl}propan-1-one

BIA, 1-(3,4,dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl) phenyl] piperazin-1-yl}propan-1-one (C20 H20 F3 N3 O5, 439.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
BIA
Formula
C20 H20 F3 N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

BIA in 2 structures; the first of them:

  • 1H1D · Catechol O-Methyltransferase · BIA A335 · binds TRP38, MET40, LYS46, ASP141, HIS142, TRP143, LYS144, ASP169 and 5 more
  • 1H1D · Catechol O-methyltransferase · BIA A335 · binds TRP38, MET40, LYS46, ASP141, HIS142, TRP143, LYS144, ASP169 and 5 more

Residues it binds most

ASP 2, LYS 2, MET 2, TRP 2, ASN 2, GLU 2, HIS 2, LEU 2, PRO 2 (residue and the binding sites it lines).

Found with

  • SAM · S-adenosylmethionine
  • MG · Magnesium ion

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