GL1X · GenesisL1 explorer

Ligand · VPX

VPX · ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]fur an-6-yl]carbamate

VPX, ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]fur an-6-yl]carbamate (C29 H33 F N2 O4, 492.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
VPX
Formula
C29 H33 F N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

VPX in 2 structures; the first of them:

  • 3VW7 · Crystal structure of human protease-activated receptor 1 (PAR1) bound with antagonist… · VPX A2001 · binds TYR183, TYR187, GLY233, PRO236, LEU237, HIS255, ASP256, VAL257 and 14 more
  • 3VW7 · Crystal structure of human protease-activated receptor 1 (PAR1) bound with antagonist… · VPX A2001 · binds TYR183, TYR187, GLY233, PRO236, LEU237, HIS255, ASP256, VAL257 and 14 more

Residues it binds most

LEU 2, TYR 2, ALA 2, HIS 2, ASP 2, GLY 2, PHE 2, PRO 2, SER 2, VAL 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CL · Chloride ion
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate

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