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Ligand · H4C

H4C · 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium

H4C, 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium (C17 H16 Cl N4 S +1, 343.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
H4C
Formula
C17 H16 Cl N4 S +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

H4C in 2 structures; the first of them:

  • 4C66 · Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical… · H4C A1168 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 5 more
  • 4C66 · Discovery of epigenetic regulator I-BET762: lead optimization to afford a clinical… · H4C A1168 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 5 more

Residues it binds most

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

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