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Ligand · R75

R75 · [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone

R75, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone (C17 H12 Br2 O3, 424.1 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (5 PDB entries). Every binding site with its residues within 4.5 Å…

Component
R75
Formula
C17 H12 Br2 O3
Class
ligand
Structures
7
PDB entries
5

Binding sites

R75 in 7 structures; the first of them:

  • 7ACU · Crystal structure of human transthyretin in complex with Benzbromarone · R75 A201 · binds LYS15, LEU17, THR106, ALA108, ALA109, LEU110, SER117, THR118 and 2 more
  • 7D6J · Human serum albumin complexed with benzbromarone · R75 A601 · binds LEU387, ILE388, ASN391, PHE403, TYR411, LEU430, VAL433, GLY434 and 6 more
  • 8II2 · Crystal structure of V30M-TTR in complex with BBM · R75 A201 · binds LYS15, LEU17, THR106, ALA108, ALA109, LEU110, SER117, THR118 and 1 more
  • 8K4H · Crystal structure of PDE4D complexed with benzbromarone · R75 A503 · binds HIS160, THR271, MET273, ASP318, LEU319, ILE336, PHE340, MET357 and 3 more
  • 9JE0 · Human URAT1 bound to benzbromarone · R75 A601 · binds CYS32, ILE156, MET214, ASN237, SER238, PHE241, HIS245, PHE360 and 8 more
  • 7ACU · Crystal structure of human transthyretin in complex with benzbromarone · R75 A201 · binds LYS15, LEU17, THR106, ALA108, ALA109, LEU110, SER117, THR118 and 2 more
  • 7D6J · Human serum albumin complexed with benzbromarone · R75 A601 · binds LEU387, ILE388, ASN391, PHE403, TYR411, LEU430, VAL433, GLY434 and 6 more

Residues it binds most

LEU 24, ARG 17, PHE 19, ALA 15, TYR 16, ILE 19, THR 8, LYS 19, SER 15, VAL 13 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • MG · Magnesium ion
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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