GL1X · GenesisL1 explorer

Ligand · D7H

D7H · (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl) benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide

D7H, (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl) benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide (C26 H27 N5 O3, 457.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
D7H
Formula
C26 H27 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

D7H in 2 structures; the first of them:

  • 6FFF · Human BRD2 C-terminal bromodomain with (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)b… · D7H A503 · binds TRP370, PRO371, PHE372, VAL376, LEU381, LEU383, TYR386, CYS425 and 6 more
  • 6FFF · Human BRD2 C-terminal bromodomain with (S)-5-(1-acetyl-2-cyclopropyl… · D7H A503 · binds TRP370, PRO371, PHE372, VAL376, LEU381, LEU383, TYR386, CYS425 and 5 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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