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Ligand · 7IC

7IC · 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole

7IC, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole (C21 H18 N2 O2 S, 362.4 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…

Component
7IC
Formula
C21 H18 N2 O2 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

7IC in 4 structures; the first of them:

  • 7FEE · Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid… · 7IC A1204 · binds ILE169, PHE191, GLY195, SER199, ILE245, ALA248, VAL249
  • 7WV9 · Allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 in complex… · 7IC R502 · binds LEU165, ILE169, PHE191, LYS192, GLY194, GLY195, ALA198, ALA248 and 1 more
  • 7FEE · Crystal structure of protein L · 7IC A1204 · binds ILE169, PHE191, GLY195, SER199, ILE245, ALA248, VAL249
  • 7WV9 · Cryo-EM structure of human receptor with G proteins · 7IC R502 · binds LEU165, ILE169, PHE191, LYS192, GLY194, GLY195, ALA198, ALA248 and 1 more

Residues it binds most

ALA 4, GLY 4, ILE 4, PHE 4, VAL 4, LEU 2, LYS 2, SER 2 (residue and the binding sites it lines).

Found with

  • 9GF · 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
  • CLR · Cholesterol
  • OLA · Oleic acid
  • GOL · Glycerol
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
  • PEG · Di(hydroxyethyl)ether

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