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Ligand · 1DD

1DD · 1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole

1DD, 1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole (C14 H11 F N2 O2 S, 290.3 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…

Component
1DD
Formula
C14 H11 F N2 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1DD in 2 structures; the first of them:

  • 4L2O · Crystal structure of human ALDH3A1 with its selective inhibitor… · 1DD A506 · binds GLU61, GLU62, TYR65, TYR115, ASN118, LEU119, GLN122, TRP233 and 7 more
  • 4L2O · Crystal structure of human ALDH3A1 with its selective inhibitor 1-(4… · 1DD A506 · binds GLU61, GLU62, TYR65, TYR115, ASN118, LEU119, GLN122, TRP233 and 7 more

Residues it binds most

GLU 8, ILE 8, TYR 8, ASN 8, CYS 8, GLN 8, HIS 8, LEU 8, MET 8, PHE 8 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide
  • K · Potassium ion
  • ACT · Acetate ion

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