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Ligand · XM5

XM5 · 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one

XM5, 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one (C12 H11 N O4, 233.2 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…

Component
XM5
Formula
C12 H11 N O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

XM5 in 2 structures; the first of them:

  • 3G5M · Synthesis of Casimiroin and Optimization of Its Qui Reductase 2 and Aromatase Inhibitory… · XM5 A232 · binds TRP105, GLY149, GLY150, MET154, TYR155, ASN161, PHE126, ILE128 and 1 more
  • 3G5M · Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase… · XM5 A232 · binds TRP105, GLY149, GLY150, MET154, TYR155, ASN161, PHE126, ILE128 and 1 more

Residues it binds most

PHE 8, GLY 8, TYR 8, ASN 8, ILE 8, MET 8, TRP 8, GLN 4 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • ZN · Zinc ion

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