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Ligand · H8A

H8A · 3-{[(3R)-7,9-diamino-3-methyl-2,3-dihydrofuro[2,3-f]quinazolin-4-yl]oxy}benzonitrile

H8A, 3-{[(3R)-7,9-diamino-3-methyl-2,3-dihydrofuro[2,3-f]quinazolin-4-yl]oxy}benzonitrile (C18 H15 N5 O2, 333.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5…

Component
H8A
Formula
C18 H15 N5 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

H8A in 1 structure; the first of them:

  • 6DRS · Dihydrofolate Reductase (DHFR) of Aspergillus flavus in complex with a small molecule… · H8A A306 · binds ILE10, VAL11, ALA12, LEU32, ASP40, MET41, PHE44, ALA45 and 7 more
  • 6DRS · Dihydrofolate reductase (DHFR) of aspergillus flavus in complex with a small molecule… · H8A A306 · binds ILE10, VAL11, ALA12, ASP40, MET41, PHE44, ALA45, THR66 and 5 more

Residues it binds most

ALA 2, ILE 2, THR 2, LEU 2, VAL 2, ARG 2, ASP 2, MET 2, PHE 2, TYR 2 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • SO4 · Sulfate ion

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