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Ligand · YS9

YS9 · (1R,3R,7E,17beta)-17-[(2R,3S)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol

YS9, (1R,3R,7E,17beta)-17-[(2R,3S)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol (C31 H52 O3, 472.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
YS9
Formula
C31 H52 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

YS9 in 2 structures; the first of them:

  • 3WTQ · Crystal structure of VDR-LBD complexed with 22S-butyl-2-methylidene-19-nor-1a,25-dihydroxy… · YS9 A501 · binds TYR143, TYR147, PHE150, LEU223, LEU226, LEU229, VAL230, SER233 and 19 more
  • 3WTQ · Crystal structure of vdr-lbd complexed with 22S-butyl-2-methylidene… · YS9 A501 · binds TYR143, TYR147, PHE150, LEU223, LEU226, LEU229, VAL230, SER233 and 19 more

Residues it binds most

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

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