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Ligand · OQO

OQO · 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-methyl-pyridin-2-amine

OQO, 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-methyl-pyridin-2-amine (C26 H23 Cl F N9 O, 532.0 g/mol), in the MolNFT structures on GenesisL1…

Component
OQO
Formula
C26 H23 Cl F N9 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

OQO in 2 structures; the first of them:

  • 7V11 · Factor XIa in Complex with Compound 2e · OQO A701 · binds ARG413, HIS414, LEU415, CYS416, HIS431, CYS432, TYR521, LEU524 and 17 more
  • 7V11 · Factor xia in complex with compound 2E · OQO A701 · binds ARG413, HIS414, LEU415, CYS416, HIS431, TYR521, LEU524, ILE528 and 16 more

Residues it binds most

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

Found with

  • CIT · Citric acid

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