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Ligand · 84I

84I · methyl 2-chloranyl-4-(2-phenylethylsulfanyl)-5-sulfamoyl-benzoate

84I, methyl 2-chloranyl-4-(2-phenylethylsulfanyl)-5-sulfamoyl-benzoate (C16 H16 Cl N O4 S2, 385.9 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…

Component
84I
Formula
C16 H16 Cl N O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

84I in 2 structures; the first of them:

  • 7PUW · Crystal structure of carbonic anhydrase XII with methyl… · 84I A302 · binds TRP4, TYR6, ASN64, HIS66, SER67, LYS69, GLN89, HIS91 and 13 more
  • 7PUW · Crystal structure of carbonic anhydrase XII with methyl 2-chloro-4… · 84I A302 · binds TYR6, ASN64, HIS66, SER67, GLN89, HIS91, HIS93, GLU104 and 8 more

Residues it binds most

HIS 8, SER 8, THR 8, LEU 8, ASN 8, VAL 8, ALA 8, GLN 8, GLU 8, TYR 8 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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