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Ligand · BA5

BA5 · methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate

BA5, methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate (C10 H9 N3 O4, 235.2 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
BA5
Formula
C10 H9 N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

BA5 in 2 structures; the first of them:

  • 6ELI · Structure of HIV-1 reverse transcriptase (RT) in complex with rilpivirine and an RNase H… · BA5 A702 · binds ASP443, GLY444, GLU478, ASP498, SER499, GLN500, ALA538, HIS539 and 2 more
  • 6ELI · Structure of HIV-1 reverse transcriptase (rt) in complex with rilpivirine and an RNase H… · BA5 A702 · binds ASP443, GLY444, GLU478, ASP498, GLN500, HIS539, ASP549

Residues it binds most

ASP 2, GLN 2, GLU 2, GLY 2, HIS 2, SER 1, ALA 1 (residue and the binding sites it lines).

Found with

  • T27 · 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
  • MG · Magnesium ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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