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Ligand · I33

I33 · 7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide

I33, 7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide (C16 H17 Cl N2 O S, 320.8 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
I33
Formula
C16 H17 Cl N2 O S
Class
ligand
Structures
4
PDB entries
2

Binding sites

I33 in 4 structures; the first of them:

  • 7EKP · human alpha 7 nicotinic acetylcholine receptor bound to EVP-6124 · I33 A601 · binds TYR115, SER170, TRP171, TYR210, GLU211, CYS212, TYR217, SER56 and 7 more
  • 7EKT · human alpha 7 nicotinic acetylcholine receptor bound to EVP-6124 and PNU-120596 · I33 A603 · binds SER56, LEU57, SER58, TRP77, LEU78, GLN79, LEU141, ASP186 and 7 more
  • 7EKP · Human alpha 7 nicotinic acetylcholine receptor bound to evp-6124 · I33 A601 · binds TYR115, SER170, TRP171, TYR210, GLU211, CYS212, TYR217, SER56 and 7 more
  • 7EKT · Human alpha 7 nicotinic acetylcholine receptor bound to evp-6124 and pnu-120596 · I33 A603 · binds SER56, LEU57, SER58, TRP77, LEU78, GLN79, LEU141, ASP186 and 7 more

Residues it binds most

LEU 20, SER 20, TYR 20, TRP 20, ASP 20, CYS 20, GLN 20, GLU 20 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • I34 · N-(5-Chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)-urea

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