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Ligand · D2G

D2G · N-methyl(5-(pyridin-3-yl)furan-2-yl)methanamine

D2G, N-methyl(5-(pyridin-3-yl)furan-2-yl)methanamine (C11 H12 N2 O, 188.2 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 residues it binds most and…

Component
D2G
Formula
C11 H12 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

D2G in 2 structures; the first of them:

  • 2FDV · Microsomal P450 2A6 with the inhibitor N-Methyl(5-(pyridin-3-yl)furan-2-yl)methanamine… · D2G A501 · binds PHE107, PHE111, VAL117, PHE118, PHE209, LEU296, ASN297, ILE300 and 6 more
  • 2FDV · Microsomal P450 2A6 with the inhibitor N-METHYL(5-(pyridin- 3-YL)FURAN-2-YL)METHANAMINE… · D2G A501 · binds PHE107, PHE111, VAL117, PHE118, PHE209, LEU296, ASN297, ILE300 and 6 more

Residues it binds most

PHE 8, ILE 8, LEU 8, ASN 8, GLY 8, THR 8, VAL 8, CYS 6 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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