GL1X · GenesisL1 explorer

Ligand · XBV

XBV · (3R,4R)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid 3-[(5-chloro-pyridin-2-yl)-amide]-4-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide}

XBV, (3R,4R)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid 3-[(5-chloro-pyridin-2-yl)-amide]-4-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide} (C24 H21 Cl F3 N5 O3, 519.9 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
XBV
Formula
C24 H21 Cl F3 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

XBV in 2 structures; the first of them:

  • 2XBV · Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor · XBV A1245 · binds LYS96, GLU97, THR98, TYR99, ARG143, GLU147, PHE174, ASP189 and 13 more
  • 2XBV · Factor xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor · XBV A1245 · binds LYS96, GLU97, THR98, TYR99, ARG143, GLU147, PHE174, ASP189 and 13 more

Residues it binds most

GLY 2, CYS 2, GLU 2, SER 2, TYR 2, ALA 2, ARG 2, ASP 2, GLN 2, ILE 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion

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