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Ligand · OR0

OR0 · 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine

OR0, 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine (C25 H20 Cl F2 N9 O, 535.9 g/mol), in the MolNFT structures on…

Component
OR0
Formula
C25 H20 Cl F2 N9 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

OR0 in 2 structures; the first of them:

  • 7V12 · Factor XIa in Complex with Compound 2f · OR0 A701 · binds ARG413, HIS414, LEU415, CYS416, HIS431, CYS432, TYR521, LEU524 and 17 more
  • 7V12 · Factor xia in complex with compound 2F · OR0 A701 · binds LEU415, CYS416, HIS431, TYR521, LEU524, ILE528, ASP569, ALA570 and 14 more

Residues it binds most

GLY 2, CYS 2, ASP 2, LEU 2, SER 2, TYR 2, HIS 2, ALA 2, ILE 2, LYS 2 (residue and the binding sites it lines).

Found with

  • CIT · Citric acid

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