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Ligand · ORF

ORF · 3-chloranyl-4-[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]-5-fluoranyl-pyridine

ORF, 3-chloranyl-4-[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]-5-fluoranyl-pyridine (C25 H18 Cl2 F2 N8 O, 555.4 g/mol), in the MolNFT structures on…

Component
ORF
Formula
C25 H18 Cl2 F2 N8 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

ORF in 2 structures; the first of them:

  • 7V13 · Factor XIa in Complex with Compound 2g · ORF A702 · binds ARG413, HIS414, LEU415, CYS416, HIS431, CYS432, TYR521, LEU524 and 17 more
  • 7V13 · Factor xia in complex with compound 2G · ORF A702 · binds HIS414, LEU415, CYS416, HIS431, TYR521, ILE528, ASP569, ALA570 and 14 more

Residues it binds most

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

Found with

  • CIT · Citric acid

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