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Ligand · D7Q

D7Q · 2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(2H)-yl)methyl)benzoic acid

D7Q, 2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(2H)-yl)methyl)benzoic acid (C21 H22 N2 O3, 350.4 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…

Component
D7Q
Formula
C21 H22 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

D7Q in 2 structures; the first of them:

  • 6FFE · Human BRD2 C-terminal bromodomain with 2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(… · D7Q A505 · binds TRP370, PRO371, PHE372, VAL376, LEU381, LEU383, TYR386, CYS425 and 5 more
  • 6FFE · Human BRD2 C-terminal bromodomain with 2-((4-acetyl-3-cyclopropyl-3,4… · D7Q A505 · binds TRP370, PRO371, PHE372, VAL376, LEU383, TYR386, CYS425, TYR428 and 3 more

Residues it binds most

TYR 2, VAL 2, LEU 2, ASN 2, CYS 2, MET 2, PHE 2, PRO 2, TRP 2, ASP 1 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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