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Ligand · 3IQ

3IQ · (3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3, 6-tetrahydropyridin-1-ium

3IQ, (3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3, 6-tetrahydropyridin-1-ium (C13 H16 N3 +1, 214.3 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…

Component
3IQ
Formula
C13 H16 N3 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

3IQ in 2 structures; the first of them:

  • 7RAN · 5-HT2AR bound to a novel agonist in complex with a mini-Gq protein and an active-state… · 3IQ A501 · binds ASP155, VAL156, SER159, THR160, GLY238, SER239, SER242, PHE339 and 4 more
  • 7RAN · 5-HT2AR bound to a novel agonist in complex with a mini-gq protein and an active-state… · 3IQ A501 · binds ASP155, VAL156, SER159, GLY238, SER239, PHE339, PHE340, VAL366 and 1 more

Residues it binds most

SER 2, PHE 2, VAL 2, ASP 2, GLY 2, TYR 2, ASN 1, THR 1 (residue and the binding sites it lines).

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