GL1X · GenesisL1 explorer

Ligand · XE4

XE4 · 1,3-cyclohexanediol, 4-methylene-5-[(2E)-[(1s,3as,7as)-octahydro-1-(5-hydroxy-5-methyl-1,3-hexadiynyl)-7A-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)

XE4, 1,3-cyclohexanediol, 4-methylene-5-[(2E)-[(1s,3as,7as)-octahydro-1-(5-hydroxy-5-methyl-1,3-hexadiynyl)-7A-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z) (C26 H34 O3, 394.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
XE4
Formula
C26 H34 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

XE4 in 2 structures; the first of them:

  • 2HBH · Crystal structure of Vitamin D nuclear receptor ligand binding domain bound to a locked… · XE4 A500 · binds TYR175, TYR179, PHE182, LEU255, LEU258, LEU261, VAL262, SER265 and 18 more
  • 2HBH · Crystal structure of vitamin D nuclear receptor ligand binding domain bound to a locked… · XE4 A500 · binds TYR175, TYR179, PHE182, LEU255, LEU258, LEU261, VAL262, SER265 and 18 more

Residues it binds most

LEU 2, TYR 2, SER 2, VAL 2, HIS 2, PHE 2, ALA 2, ARG 2, CYS 2, ILE 2 (residue and the binding sites it lines).

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