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Ligand · OQI

OQI · methyl ~{N}-[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]phenyl]carbamate

OQI, methyl ~{N}-[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]phenyl]carbamate (C28 H24 Cl F N8 O3, 575.0 g/mol), in the MolNFT structures on…

Component
OQI
Formula
C28 H24 Cl F N8 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

OQI in 2 structures; the first of them:

  • 7V10 · Factor XIa in Complex with Compound 2d · OQI A701 · binds ARG413, HIS414, LEU415, CYS416, HIS431, CYS432, TYR521, LEU524 and 17 more
  • 7V10 · Factor xia in complex with compound 2D · OQI A701 · binds ARG413, HIS414, LEU415, HIS431, LEU524, ILE528, ASP569, ALA570 and 14 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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