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Ligand · 3H7

3H7 · 4,6-difluoro-1,3-benzothiazol-2-amine

3H7, 4,6-difluoro-1,3-benzothiazol-2-amine (C7 H4 F2 N2 S, 186.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
3H7
Formula
C7 H4 F2 N2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3H7 in 2 structures; the first of them:

  • 4W5C · Crystal structure analysis of cruzain with three Fragments: 1… · 3H7 B301 · binds GLN19, GLY23, SER24, SER25, TRP26, SER64, GLY65, GLY66 and 4 more
  • 4W5C · Crystal structure analysis of cruzain with three fragments: 1 (N-(1H… · 3H7 B301 · binds GLN19, GLY23, SER24, SER25, TRP26, SER64, GLY65, GLY66 and 4 more

Residues it binds most

GLY 6, SER 6, LEU 6, ASP 6, HIS 6, GLN 4, TRP 2 (residue and the binding sites it lines).

Found with

  • 3H5 · N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
  • 3H6 · N-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

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