GL1X · GenesisL1 explorer

Ligand · TKA

TKA · (1R,3R,7E,17beta)-17-{(2R,6S)-6-hydroxy-6-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol

TKA, (1R,3R,7E,17beta)-17-{(2R,6S)-6-hydroxy-6-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol (C35 H50 O3, 518.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
TKA
Formula
C35 H50 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

TKA in 2 structures; the first of them:

  • 3VTB · Crystal structure of rat vitamin D receptor bound to a partial agonist… · TKA A500 · binds TYR143, TYR147, PHE150, LEU223, LEU226, ALA227, LEU229, VAL230 and 21 more
  • 3VTB · Crystal structure of rat vitamin D receptor bound to a partial agonist… · TKA A500 · binds TYR143, TYR147, PHE150, LEU223, LEU226, ALA227, LEU229, VAL230 and 21 more

Residues it binds most

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

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