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Ligand · B2

B2 · (2R)-5-fluoro-2-(2-thienyl)-1,2-dihydroquinazolin-4-amine

B2, (2R)-5-fluoro-2-(2-thienyl)-1,2-dihydroquinazolin-4-amine (C12 H10 F N3 S, 247.3 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 residues it binds…

Component
B2
Formula
C12 H10 F N3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

B2 in 2 structures; the first of them:

  • 3E7I · Structure of murine inos oxygenase domain with inhibitor AR-C94864 · B2 A906 · binds GLN257, TYR341, PRO344, ALA345, VAL346, PHE363, ASN364, GLY365 and 3 more
  • 3E7I · Structure of murine inos oxygenase domain with inhibitor ar-C94864 · B2 A906 · binds GLN257, TYR341, PRO344, ALA345, VAL346, PHE363, ASN364, GLY365 and 3 more

Residues it binds most

GLU 6, ASN 6, TYR 4, ALA 4, GLN 4, GLY 4, PHE 4, PRO 4, TRP 4, VAL 4 (residue and the binding sites it lines).

Found with

  • H4B · 5,6,7,8-tetrahydrobiopterin
  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion
  • SO4 · Sulfate ion

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