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Ligand · 9BE

9BE · N-benzylthioformamide

9BE, N-benzylthioformamide (C8 H9 N S, 151.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
9BE
Formula
C8 H9 N S
Class
ligand
Structures
2
PDB entries
1

Binding sites

9BE in 2 structures; the first of them:

  • 6PQP · Cryo-EM structure of the human TRPA1 ion channel in complex with the covalent agonist BITC · 9BE A1201 · binds LEU609, PHE612, CYS621, PRO622, ILE623, LYS661, TYR662, LEU663 and 3 more
  • 6PQP · Cryo-EM structure of the human TRPA1 ion channel in complex with the covalent agonist bitc · 9BE A1201 · binds PHE612, CYS621, PRO622, ILE623, LYS661, TYR662, LEU663, GLN664

Residues it binds most

CYS 8, LEU 8, GLN 8, ILE 8, LYS 8, PHE 8, PRO 8, TYR 8, THR 4 (residue and the binding sites it lines).

Found with

  • 6OU · [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
  • LBN · 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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