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Ligand · 0IG

0IG · ~{N}-[4-[4-[(azanylidene-$L^{4}-azanylidene) amino]phenyl]-1,3-thiazol-2-yl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide

0IG, ~{N}-[4-[4-[(azanylidene-$L^{4}-azanylidene) amino]phenyl]-1,3-thiazol-2-yl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide (C18 H16 N9 O3 S +1, 438.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2…

Component
0IG
Formula
C18 H16 N9 O3 S +1
Class
ligand
Structures
4
PDB entries
2

Binding sites

0IG in 4 structures; the first of them:

  • 7OR0 · Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60… · 0IG A1201 · binds LEU707, LEU708, TRP711, PHE716, MET720, LEU723, LEU850, ARG852 and 6 more
  • 7OR1 · Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60… · 0IG A1201 · binds LEU707, LEU708, TRP711, PHE716, MET720, LEU723, PHE846, LEU850 and 7 more
  • 7OR0 · Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60… · 0IG A1201 · binds LEU707, TRP711, PHE716, MET720, LEU850, ARG852, PHE853, GLU854 and 3 more
  • 7OR1 · Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60… · 0IG A1201 · binds LEU707, TRP711, PHE716, MET720, LEU850, ARG852, PHE853, GLU854 and 3 more

Residues it binds most

LEU 16, PHE 16, ARG 16, ASN 16, GLN 16, GLU 16, HIS 16, MET 16, TRP 16 (residue and the binding sites it lines).

Found with

  • IHP · Inositol hexakisphosphate
  • PC1 · 1,2-diacyl-sn-glycero-3-phosphocholine
  • CA · Calcium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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