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Ligand · VYR

VYR · N-[(S)-1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(4-methoxy-piperidin-1-yl)-2-oxo-ethyl]-2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonamide

VYR, N-[(S)-1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(4-methoxy-piperidin-1-yl)-2-oxo-ethyl]-2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonamide (C28 H33 Cl N4 O7 S2, 637.2 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
VYR
Formula
C28 H33 Cl N4 O7 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

VYR in 2 structures; the first of them:

  • 4BTT · factor Xa in complex with the dual thrombin-FXa inhibitor 31. · VYR B1246 · binds HIS57, GLN61, GLU97, THR98, TYR99, PHE174, ASP189, ALA190 and 11 more
  • 4BTT · Factor xa in complex with the dual thrombin-fxa inhibitor 31. · VYR B1246 · binds HIS57, GLN61, GLU97, THR98, TYR99, PHE174, ASP189, ALA190 and 11 more

Residues it binds most

GLY 4, GLN 4, GLU 4, TYR 4, CYS 4, ALA 4, ASP 4, HIS 4, ILE 4, PHE 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion

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