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Ligand · XVD

XVD · 6-[2-chloro-6-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-ol

XVD, 6-[2-chloro-6-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-ol (C14 H8 Cl F3 N2 O2, 328.7 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
XVD
Formula
C14 H8 Cl F3 N2 O2
Class
ligand
Structures
7
PDB entries
4

Binding sites

XVD in 7 structures; the first of them:

  • 7LDD · native AMPA receptor · XVD G504 · binds TYR519, GLU520, MET523, CYS524, PHE527, MET35, TRP44, ASN172 and 7 more
  • 7LDE · native AMPA receptor · XVD G504 · binds TYR519, GLU520, MET523, CYS524, PHE527, MET35, TRP44, ASN172 and 7 more
  • 7LEP · The composite LBD-TMD structure combined from all hippocampal AMPAR subtypes at 3.25… · XVD G501 · binds TYR519, GLU520, MET523, CYS524, PHE527, MET35, ASN172, ILE173 and 6 more
  • 8AYM · Resting state GluA1/A2 AMPA receptor in complex with TARP gamma 8 and ligand JNJ-55511118 · XVD I501 · binds MET35, TRP44, ASN172, ILE173, VAL176, ILE180, PHE205, TYR206 and 7 more
  • 7LDD · Native AMPA receptor · XVD G504 · binds TYR519, MET523, CYS524, PHE527, MET35, ASN172, VAL176, ILE180 and 3 more
  • 7LDE · Native AMPA receptor · XVD G504 · binds TYR519, MET523, CYS524, PHE527, MET35, ASN172, VAL176, ILE180 and 3 more
  • 7LEP · The composite lbd-tmd structure combined from all hippocampal ampar subtypes at 3.25… · XVD G501 · binds TYR519, GLU520, MET523, CYS524, PHE527, MET35, ASN172, VAL176 and 5 more

Residues it binds most

PHE 14, GLY 14, MET 14, TYR 14, ILE 14, ASN 14, CYS 14, VAL 14, GLU 12, TRP 6 (residue and the binding sites it lines).

Found with

  • ZK1 · {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid
  • C14 · Tetradecane
  • D10 · Decane
  • D12 · Dodecane
  • OCT · N-octane
  • HP6 · Heptane
  • R16 · Hexadecane
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • DD9 · nonane
  • POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
  • PLM · Palmitic acid
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate

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