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Ligand · YP1

YP1 · 2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile

YP1, 2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile (C24 H25 Cl N2 O2, 408.9 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (4 PDB entries). Every binding site with its…

Component
YP1
Formula
C24 H25 Cl N2 O2
Class
ligand
Structures
7
PDB entries
4

Binding sites

YP1 in 7 structures; the first of them:

  • 7M3E · Asymmetric Activation of the Calcium Sensing Receptor Homodimer · YP1 A901 · binds PHE668, GLN681, PHE684, ILE777, PHE814, TRP818, PHE821, ILE822 and 4 more
  • 7M3J · Asymmetric Activation of the Calcium Sensing Receptor Homodimer · YP1 A901 · binds GLN681, PHE684, PHE814, TRP818, PHE821, ILE822, TYR825, GLU837 and 2 more
  • 7SIN · Structure of negative allosteric modulator-bound inactive human calcium-sensing receptor · YP1 A901 · binds ARG680, GLN681, PHE684, GLU767, LEU770, LEU773, ILE777, PHE814 and 7 more
  • 7DD5 · Structure of calcium-sensing receptor in complex with nps-2143 · YP1 A1109 · binds GLN680, PHE683, LEU772, ILE776, TRP817, PHE820, TYR824, GLU836 and 1 more
  • 7M3E · Asymmetric activation of the calcium sensing receptor homodimer · YP1 A901 · binds PHE668, GLN681, PHE684, ILE777, PHE814, TRP818, PHE821, ILE822 and 3 more
  • 7M3J · Asymmetric activation of the calcium sensing receptor homodimer · YP1 A901 · binds GLN681, PHE684, PHE814, TRP818, PHE821, TYR825, GLU837, ILE841
  • 7SIN · Structure of negative allosteric modulator-bound inactive human calcium-sensing receptor · YP1 A901 · binds ARG680, GLN681, PHE684, GLU767, LEU770, LEU773, ILE777, PHE814 and 5 more

Residues it binds most

PHE 14, ILE 14, GLU 14, TYR 14, GLN 14, TRP 14, ALA 8, LEU 5, ARG 4, VAL 1 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • PO4 · Phosphate ion
  • CA · Calcium ion
  • TRP · Tryptophan
  • CL · Chloride ion

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