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Ligand · EPJ

EPJ · Epibatidine

EPJ, Epibatidine (C11 H13 Cl N2, 208.7 g/mol), in the MolNFT structures on GenesisL1: bound in 12 records (11 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
EPJ
Formula
C11 H13 Cl N2
Class
ligand
Structures
12
PDB entries
11

Binding sites

EPJ in 12 structures; the first of them:

  • 5FJV · Crystal structure of the extracellular domain of alpha2 nicotinic acetylcholine receptor… · EPJ A300 · binds TYR122, SER177, TRP178, THR179, TYR219, CYS221, CYS222, TYR226 and 6 more
  • 7KOX · Alpha-7 nicotinic acetylcholine receptor bound to epibatidine and PNU-120596 in the… · EPJ A503 · binds TYR92, SER147, TRP148, SER149, TYR187, CYS189, CYS190, TYR194 and 5 more
  • 8UT1 · Alpha7-nicotinic acetylcholine receptor bound to epibatidine · EPJ A606 · binds TYR92, SER147, TRP148, SER149, TYR187, CYS189, CYS190, TYR194 and 5 more
  • 8UTB · Alpha7-nicotinic acetylcholine receptor bound to epibatidine and NS-1738 · EPJ A603 · binds TYR92, SER147, TRP148, SER149, TYR187, CYS189, CYS190, TYR194 and 6 more
  • 8V80 · Alpha7-nicotinic acetylcholine receptor bound to epibatidine and (-)-TQS · EPJ A605 · binds TYR92, SER147, TRP148, SER149, TYR187, CYS189, CYS190, TYR194 and 6 more
  • 8V82 · Alpha7-nicotinic acetylcholine receptor bound to epibatidine and PNU-120596 · EPJ A606 · binds TYR92, SER147, TRP148, SER149, TYR187, CYS189, CYS190, TYR194 and 6 more
  • 8V88 · Alpha7-nicotinic acetylcholine receptor bound to epibatidine and GAT107 · EPJ A506 · binds TYR92, SER147, TRP148, SER149, TYR187, CYS189, CYS190, TYR194 and 6 more
  • 8V8A · Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596… · EPJ A606 · binds TYR92, SER147, TRP148, SER149, TYR187, CYS189, CYS190, TYR194 and 6 more

Residues it binds most

TYR 60, TRP 60, CYS 60, LEU 55, SER 55, ASN 49, GLN 46, VAL 39, HIS 5, ALA 5 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CA · Calcium ion
  • 9Z9 · (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en
  • POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
  • BMA · beta-D-mannopyranose
  • I34 · N-(5-Chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)-urea
  • XG3 · N-(5-chloro-2-hydroxyphenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]urea
  • YLI · (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
  • YLR · (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

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