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Ligand · 84O

84O · methyl 4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzoate

84O, methyl 4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzoate (C14 H18 Cl N O4 S2, 363.9 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…

Component
84O
Formula
C14 H18 Cl N O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

84O in 2 structures; the first of them:

  • 7PUU · Crystal structure of carbonic anhydrase XII with methyl… · 84O A302 · binds TRP4, ASN64, HIS66, THR88, GLN89, HIS91, HIS93, GLU104 and 14 more
  • 7PUU · Crystal structure of carbonic anhydrase XII with methyl 4-chloro-2… · 84O A302 · binds GLN89, HIS91, HIS93, GLU104, HIS117, VAL119, ALA129, SER130 and 6 more

Residues it binds most

HIS 8, SER 8, THR 8, VAL 8, LEU 8, TRP 8, ALA 8, GLU 8, GLN 6, ASN 3 (residue and the binding sites it lines).

Found with

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

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