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Ligand · D9Q

D9Q · 1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl) pyridine-3-carboxamide

D9Q, 1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl) pyridine-3-carboxamide (C13 H19 N3 O2, 249.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component
D9Q
Formula
C13 H19 N3 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

D9Q in 2 structures; the first of them:

  • 6FGU · Crystal structure of BAZ2B bromodomain in complex with 1- methylpyridinone compound 4 · D9Q A2001 · binds TRP1887, PRO1888, PHE1889, VAL1893, TYR1901, ASN1944, ILE1950
  • 6FGW · Crystal structure of BAZ2A bromodomain in complex with 1- methylpyridinone compound 4 · D9Q A1901 · binds PRO1817, PHE1818, VAL1822, TYR1830, ASN1873, VAL1879

Residues it binds most

VAL 2, ASN 2, PHE 2, PRO 2, TYR 2, ILE 1, TRP 1 (residue and the binding sites it lines).

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