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Ligand · IXO

IXO · 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium

IXO, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium (C10 H17 N2 O2 +1, 197.3 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
IXO
Formula
C10 H17 N2 O2 +1
Class
ligand
Structures
8
PDB entries
6

Binding sites

IXO in 8 structures; the first of them:

  • 6OIJ · Muscarinic acetylcholine receptor 1-G11 protein complex · IXO R501 · binds ASP105, TYR106, SER109, GLN110, VAL113, TRP157, ALA196, PHE197 and 6 more
  • 6OIK · Muscarinic acetylcholine receptor 2-Go complex · IXO R501 · binds TYR104, SER107, ASN108, VAL111, TRP155, ALA194, PHE195, TRP400 and 5 more
  • 7TRQ · Human M4 muscarinic acetylcholine receptor complex with Gi1 and the agonist iperoxo and… · IXO R601 · binds ASP112, TYR113, SER116, ASN117, VAL120, TRP164, ALA203, PHE204 and 6 more
  • 8E9Z · CryoEM structure of miniGq-coupled hM3R in complex with Iperoxo · IXO A801 · binds ASP148, TYR149, SER152, ASN153, VAL156, ALA239, PHE240, TRP504 and 5 more
  • 8EA0 · CryoEM structure of miniGq-coupled hM3R in complex with iperoxo (local refinement) · IXO A801 · binds ASP148, TYR149, SER152, ASN153, VAL156, TRP200, ALA239, PHE240 and 6 more
  • 6OIJ · Muscarinic acetylcholine receptor 1-G11 protein complex · IXO R501 · binds ASP105, TYR106, SER109, GLN110, VAL113, TRP157, ALA196, PHE197 and 5 more
  • 6OIK · Muscarinic acetylcholine receptor 2-go complex · IXO R501 · binds TYR104, SER107, ASN108, VAL111, TRP155, ALA194, PHE195, TRP400 and 5 more
  • 7V68 · An agonist and pam-bound class a GPCR with gi protein complex structure · IXO R501 · binds ASP112, TYR113, SER116, ASN117, VAL120, ALA203, PHE204, TRP413 and 3 more

Residues it binds most

TYR 8, TRP 8, ASN 7, ALA 8, PHE 8, SER 8, VAL 8, CYS 7, ASP 6, GLN 2 (residue and the binding sites it lines).

Found with

  • Y01 · Cholesterol hemisuccinate
  • 2CU · 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide
  • IUI · 5-amino-3,4-dimethyl-N-{[4-(trifluoromethanesulfonyl)phenyl]methyl}thieno[2,3-c]pyridazine-6-carboxamide

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