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Ligand · B14

B14 · 1-(6-cyano-3-pyridylcarbonyl)-5',8'-difluorospiro[piperidine-4,2'(1'H)-quinazoline]-4'-amine

B14, 1-(6-cyano-3-pyridylcarbonyl)-5',8'-difluorospiro[piperidine-4,2'(1'H)-quinazoline]-4'-amine (C19 H16 F2 N6 O, 382.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
B14
Formula
C19 H16 F2 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

B14 in 2 structures; the first of them:

  • 3E7T · Structure of murine iNOS oxygenase domain with inhibitor AR-C102222 · B14 A906 · binds GLN257, ILE259, ARG260, ASP274, ALA276, TRP340, TYR341, PRO344 and 10 more
  • 3E7T · Structure of murine inos oxygenase domain with inhibitor ar- C102222 · B14 A906 · binds GLN257, ILE259, ARG260, ASP274, ALA276, TRP340, TYR341, PRO344 and 10 more

Residues it binds most

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

Found with

  • HBI · 7,8-dihydrobiopterin
  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion

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