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Ligand · VYY

VYY · 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl) sulfonyl]amino}benzene-1-sulfonamide

VYY, 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl) sulfonyl]amino}benzene-1-sulfonamide (C16 H20 N4 O5 S2, 412.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues…

Component
VYY
Formula
C16 H20 N4 O5 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

VYY in 4 structures; the first of them:

  • 7K6J · Carbonic Anhydrase II complexed with 4-(2-(3-(4-methylphenyl)ureido)ethylsulfonamido)benze… · VYY A302 · binds LEU57, ASN67, GLU69, PHE70, ILE91, GLN92, HIS94, HIS96 and 10 more
  • 7K6U · Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(4-methylphenyl)ureido)ethylsulfonamido… · VYY A302 · binds TRP5, TYR7, ASN62, HIS64, SER65, GLN67, LEU91, GLN92 and 15 more
  • 7K6J · Carbonic anhydrase II complexed with 4-(2-(3-(4-METHYLPHENYL)UREIDO)… · VYY A302 · binds ASN67, GLU69, PHE70, ILE91, GLN92, HIS94, HIS96, HIS119 and 7 more
  • 7K6U · Carbonic anhydrase IX mimic complexed with 4-(2-(3-(4-methylphenyl)… · VYY A302 · binds TRP5, TYR7, HIS64, SER65, GLN67, LEU91, GLN92, HIS94 and 9 more

Residues it binds most

HIS 4, VAL 4, LEU 4, THR 4, GLN 4, TRP 4, ASN 4, PHE 3, GLU 3, SER 3 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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