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Ligand · 8E6

8E6 · 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide

8E6, 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide (C15 H13 F N4 O S, 316.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
8E6
Formula
C15 H13 F N4 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

8E6 in 2 structures; the first of them:

  • 5XST · novel orally efficacious inhibitors complexed with PARP1 · 8E6 A401 · binds GLN98, GLU102, ASP105, TRP200, HIS201, GLY202, THR226, GLY227 and 9 more
  • 5XST · Novel orally efficacious inhibitors complexed with PARP1 · 8E6 A401 · binds GLN98, GLU102, ASP105, HIS201, GLY202, THR226, GLY227, TYR228 and 7 more

Residues it binds most

TYR 2, GLU 2, GLY 2, ALA 2, ASP 2, GLN 2, HIS 2, LYS 2, PHE 2, SER 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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