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Ligand · 5EH

5EH · (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine

5EH, (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine (C19 H21 N O, 279.4 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…

Component
5EH
Formula
C19 H21 N O
Class
ligand
Structures
2
PDB entries
1

Binding sites

5EH in 2 structures; the first of them:

  • 3RZE · Structure of the human histamine H1 receptor in complex with doxepin · 5EH A1200 · binds ASP107, TYR108, SER111, THR112, ILE115, TRP158, THR194, ASN198 and 8 more
  • 3RZE · Structure of the human histamine H1 receptor in complex with doxepin · 5EH A1200 · binds ASP107, TYR108, SER111, THR112, ILE115, TRP158, THR194, ASN198 and 8 more

Residues it binds most

PHE 2, TYR 2, ILE 2, THR 2, TRP 2, ASN 2, ASP 2, SER 2 (residue and the binding sites it lines).

Found with

  • D7V · (3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine
  • PO4 · Phosphate ion
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate

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