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Ligand · 5V2

5V2 · N-[1,1-bis(oxidanylidene)thian-4-yl]-5-methyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide

5V2, N-[1,1-bis(oxidanylidene)thian-4-yl]-5-methyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide (C21 H20 F3 N3 O3 S2, 483.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
5V2
Formula
C21 H20 F3 N3 O3 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

5V2 in 2 structures; the first of them:

  • 4UIY · N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH N-(1,1-dioxo-1-thian-4-yl)… · 5V2 A1172 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 6 more
  • 4UIY · N-terminal bromodomain of human BRD4 with N-(1,1-dioxo-1-thian-4-yl)… · 5V2 A1172 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 6 more

Residues it binds most

LEU 2, TYR 2, ASN 2, ASP 2, CYS 2, GLN 2, ILE 2, LYS 2, PHE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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