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Ligand · H8I

H8I · [2-(2,5-Dichloro-phenoxy)-pyridin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)-methanone

H8I, [2-(2,5-Dichloro-phenoxy)-pyridin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)-methanone (C21 H16 Cl2 N2 O2, 399.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
H8I
Formula
C21 H16 Cl2 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

H8I in 2 structures; the first of them:

  • 7XTQ · Cryo-EM structure of the R399-bound GPBAR-Gs complex · H8I R401 · binds LEU71, LEU74, TRP75, TYR89, ASN93, PHE96, SER157, PHE161 and 10 more
  • 7XTQ · Cryo-EM structure of the R399-bound gpbar-gs complex · H8I R401 · binds LEU71, LEU74, TRP75, ASN93, PHE96, PHE161, LEU166, GLU169 and 6 more

Residues it binds most

LEU 2, SER 2, TYR 2, PHE 2, ASN 2, GLU 2, TRP 2, THR 1 (residue and the binding sites it lines).

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