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Ligand · N1D

N1D · 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one

N1D, 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one (C22 H25 N3 O6 S2, 491.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with…

Component
N1D
Formula
C22 H25 N3 O6 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

N1D in 4 structures; the first of them:

  • 4UIT · BROMODOMAIN OF HUMAN BRD9 WITH 7-(3,4-dimethoxyphenyl)-2-(4… · N1D A1123 · binds PHE44, PHE45, VAL49, ILE53, ALA54, PRO55, TYR57, TYR99 and 4 more
  • 4UIZ · N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-dimethoxyphenyl)-2-(4-methanesulfonylpipe… · N1D A1171 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, ASN93, LEU94 and 6 more
  • 4UIT · Bromodomain of human BRD9 with 7-(3,4-dimethoxyphenyl)-2-(4… · N1D A1123 · binds PHE44, PHE45, VAL49, ILE53, ALA54, PRO55, TYR57, TYR99 and 4 more
  • 4UIZ · N-terminal bromodomain of human BRD4 with 7-(3,4… · N1D A1171 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, ASN93, LEU94 and 6 more

Residues it binds most

TYR 4, ASN 4, PHE 4, ILE 4, LEU 2, PRO 4, VAL 4, ALA 2, ARG 2, ASP 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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