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Ligand · 4F4

4F4 · N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}thiophene-2-carboxamide

4F4, N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}thiophene-2-carboxamide (C24 H19 N5 O2 S2, 473.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
4F4
Formula
C24 H19 N5 O2 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4F4 in 2 structures; the first of them:

  • 4YOI · Structure of HKU4 3CLpro bound to non-covalent inhibitor 1A · 4F4 A401 · binds SER24, MET25, HIS41, CYS44, PRO45, ALA46, LEU49, TYR54 and 12 more
  • 4YOI · Structure of HKU4 3CLPRO bound to non-covalent inhibitor 1A · 4F4 A401 · binds SER24, MET25, HIS41, CYS44, PRO45, ALA46, LEU49, TYR54 and 12 more

Residues it binds most

CYS 4, SER 4, GLN 4, HIS 4, LEU 4, MET 4, ALA 4, ASP 4, GLU 4, LYS 4 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • FMT · Formic acid

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