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Ligand · TVU

TVU · N-[1,1-bis(oxidanylidene)thian-4-yl]-7-(3,4-dimethoxyphenyl)-5-methyl-4-oxidanylidene-thieno[3,2-c]pyridine-2-carboxamide

TVU, N-[1,1-bis(oxidanylidene)thian-4-yl]-7-(3,4-dimethoxyphenyl)-5-methyl-4-oxidanylidene-thieno[3,2-c]pyridine-2-carboxamide (C22 H24 N2 O6 S2, 476.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…

Component
TVU
Formula
C22 H24 N2 O6 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

TVU in 4 structures; the first of them:

  • 4UIU · BROMODOMAIN OF HUMAN BRD9 WITH 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxo-1… · TVU A1123 · binds GLY43, PHE44, PHE45, PHE47, VAL49, ILE53, ALA54, ALA96 and 5 more
  • 4UIX · N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxo-1-thian-4-y… · TVU A1171 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 6 more
  • 4UIU · Bromodomain of human BRD9 with 7-(3,4-dimethoxyphenyl)-N-(1… · TVU A1123 · binds GLY43, PHE44, PHE45, PHE47, VAL49, ILE53, ALA54, ALA96 and 5 more
  • 4UIX · N-terminal bromodomain of human BRD4 with 7-(3,4-dimethoxyphenyl)-N… · TVU A1171 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 6 more

Residues it binds most

TYR 8, LEU 6, PHE 8, ASN 8, ILE 8, VAL 8, ASP 6, CYS 6, GLN 6, LYS 6 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • EDO · 1,2-ethanediol

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