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Ligand · L5S

L5S · 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene

L5S, 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene (C15 H12 N4 S, 280.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
L5S
Formula
C15 H12 N4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

L5S in 2 structures; the first of them:

  • 4C67 · Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical… · L5S A1170 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, CYS136 and 5 more
  • 4C67 · Discovery of epigenetic regulator I-BET762: lead optimization to afford a clinical… · L5S A1170 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, CYS136 and 5 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol

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