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Ligand · 4MD

4MD · N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide

4MD, N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide (C14 H15 Cl N2 O4 S2, 374.9 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
4MD
Formula
C14 H15 Cl N2 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4MD in 2 structures; the first of them:

  • 3DA2 · X-ray structure of human carbonic anhydrase 13 in complex with inhibitor · 4MD A401 · binds GLN93, HIS95, HIS97, HIS120, VAL122, PHE132, VAL133, ALA136 and 9 more
  • 3DA2 · X-ray structure of human carbonic anhydrase 13 in complex with inhibitor · 4MD A401 · binds GLN93, HIS95, HIS97, HIS120, VAL122, PHE132, VAL133, ALA136 and 9 more

Residues it binds most

HIS 4, VAL 4, LEU 4, ALA 4, GLN 4, PHE 4, PRO 4, SER 4, THR 4, TRP 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CL · Chloride ion

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