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Ligand · I34

I34 · N-(5-Chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)-urea

I34, N-(5-Chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)-urea (C13 H14 Cl N3 O4, 311.7 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
I34
Formula
C13 H14 Cl N3 O4
Class
ligand
Structures
6
PDB entries
5

Binding sites

I34 in 6 structures; the first of them:

  • 7EKT · human alpha 7 nicotinic acetylcholine receptor bound to EVP-6124 and PNU-120596 · I34 A604 · binds LEU235, ASN236, PRO240, ILE244, VAL274, PHE275, LEU278, THR273 and 6 more
  • 8V82 · Alpha7-nicotinic acetylcholine receptor bound to epibatidine and PNU-120596 · I34 A607 · binds LEU212, ASN213, PRO217, ILE221, VAL251, PHE252, LEU255, THR250 and 7 more
  • 8V8A · Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596… · I34 A608 · binds LEU212, ASN213, PRO217, ILE221, VAL251, PHE252, LEU255, THR250 and 8 more
  • 8V8C · Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596… · I34 A604 · binds THR250, MET253, LEU254, VAL267, ALA271, GLN272, ALA275, MET278 and 7 more
  • 8V8D · Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596… · I34 A604 · binds LEU212, ASN213, LEU214, PRO217, ILE221, VAL251, PHE252, LEU255 and 8 more
  • 7EKT · Human alpha 7 nicotinic acetylcholine receptor bound to evp-6124 and pnu-120596 · I34 A604 · binds LEU235, ASN236, PRO240, ILE244, PHE275, LEU278, THR273, MET276 and 5 more

Residues it binds most

LEU 30, ALA 30, MET 30, VAL 30, ASN 30, ILE 30, PHE 30, PRO 30, THR 30, GLN 12 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • EPJ · Epibatidine
  • CA · Calcium ion
  • 9Z9 · (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en
  • CLR · Cholesterol
  • I33 · 7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide
  • POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
  • BMA · beta-D-mannopyranose

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