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Ligand · NDR

NDR · (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one

NDR, (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one (C20 H26 O2, 298.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
NDR
Formula
C20 H26 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

NDR in 4 structures; the first of them:

  • 1SQN · Progesterone Receptor Ligand Binding Domain with bound Norethindrone · NDR A1001 · binds LEU715, LEU718, ASN719, LEU721, GLY722, GLN725, TRP755, MET756 and 12 more
  • 2W8Y · RU486 bound to the progesterone receptor in a destabilized agonistic conformation · NDR B1000 · binds LEU715, LEU718, ASN719, LEU721, GLY722, GLN725, MET756, MET759 and 10 more
  • 1SQN · Progesterone receptor ligand binding domain with bound norethindrone · NDR A1001 · binds LEU715, LEU718, ASN719, LEU721, GLY722, GLN725, TRP755, MET756 and 12 more
  • 2W8Y · RU486 bound to the progesterone receptor in a destabilized agonistic conformation · NDR B1000 · binds LEU715, LEU718, ASN719, LEU721, GLY722, GLN725, MET756, MET759 and 10 more

Residues it binds most

LEU 6, MET 6, PHE 6, ARG 6, ASN 6, CYS 6, GLN 6, GLY 6, TYR 6, VAL 6 (residue and the binding sites it lines).

Found with

  • 486 · 11-(4-dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodec ahydro-cyclopenta[a]phenanthren-3-one
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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