GL1X · GenesisL1 explorer

Ligand · B2O

B2O · 4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butanoic acid

B2O, 4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butanoic acid (C26 H30 N O3 +1, 404.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
B2O
Formula
C26 H30 N O3 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

B2O in 2 structures; the first of them:

  • 7YXA · XFEL crystal structure of the human sphingosine 1 phosphate receptor 5 in complex with… · B2O A2502 · binds TYR19, LYS24, CYS43, TYR89, ASN92, ILE93, TRP108, ARG111 and 12 more
  • 7YXA · Xfel crystal structure of the human sphingosine 1 phosphate receptor 5 in complex with… · B2O A2502 · binds TYR19, LYS24, CYS43, TYR89, ASN92, ILE93, TRP108, ARG111 and 12 more

Residues it binds most

LEU 4, TRP 4, TYR 4, VAL 4, ALA 4, ARG 4, ASN 4, ASP 4, GLU 4, GLY 4 (residue and the binding sites it lines).

Found with

  • OLA · Oleic acid
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate

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