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Ligand · A55

A55 · N-[2-(4-amino-5,8-difluoro-1,2-dihydroquinazolin-2-yl)ethyl]-3-furamide

A55, N-[2-(4-amino-5,8-difluoro-1,2-dihydroquinazolin-2-yl)ethyl]-3-furamide (C15 H14 F2 N4 O2, 320.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
A55
Formula
C15 H14 F2 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

A55 in 2 structures; the first of them:

  • 3E6O · Structure of murine INOS oxygenase domain with inhibitor AR-C124355 · A55 A903 · binds GLN257, ILE259, ARG260, TYR341, PRO344, ALA345, VAL346, PHE363 and 7 more
  • 3E6O · Structure of murine inos oxygenase domain with inhibitor ar-C124355 · A55 A903 · binds GLN257, ILE259, ARG260, TYR341, PRO344, ALA345, VAL346, PHE363 and 7 more

Residues it binds most

ARG 4, TYR 4, ALA 4, ASN 4, ASP 4, GLN 4, GLU 4, GLY 4, ILE 4, PHE 4 (residue and the binding sites it lines).

Found with

  • H4B · 5,6,7,8-tetrahydrobiopterin
  • HEM · Protoporphyrin IX containing Fe

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