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Ligand · HOI

HOI · ~{N}-[4-[[2-methoxy-5-[(2~{S})-5-oxidanyl-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]phenyl]methoxy]phenyl]ethanamide

HOI, ~{N}-[4-[[2-methoxy-5-[(2~{S})-5-oxidanyl-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]phenyl]methoxy]phenyl]ethanamide (C31 H29 N3 O5, 523.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
HOI
Formula
C31 H29 N3 O5
Class
ligand
Structures
4
PDB entries
2

Binding sites

HOI in 4 structures; the first of them:

  • 7XW5 · TSHR-thyroid stimulating hormone-Gs-ML109 complex · HOI R805 · binds GLU404, PHE405, VAL502, LEU570, PRO571, MET572, THR574, ILE583 and 13 more
  • 7XW6 · TSHR-Gs-M22 antibody-ML109 complex · HOI R827 · binds GLU404, PHE405, VAL502, SER505, GLU506, LEU570, PRO571, MET572 and 17 more
  • 7XW5 · Tshr-thyroid stimulating hormone-gs-ML109 complex · HOI R805 · binds LEU570, PRO571, MET572, ILE583, VAL586, LEU587, ILE640, TYR643 and 9 more
  • 7XW6 · Tshr-gs-M22 antibody-ML109 complex · HOI R827 · binds GLU404, VAL502, LEU570, PRO571, MET572, ILE583, VAL586, LEU587 and 11 more

Residues it binds most

ILE 4, LEU 4, VAL 4, ALA 4, PRO 4, SER 4, TYR 4, GLU 3, MET 4, THR 3 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol
  • PLM · Palmitic acid
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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