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Ligand · U7J

U7J · N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl) ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine

U7J, N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl) ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine (C32 H35 N3 O5 S, 573.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding…

Component
U7J
Formula
C32 H35 N3 O5 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

U7J in 2 structures; the first of them:

  • 6WQ9 · Carbonic anhydrase II complexed with 3-((2-((naphthalen-2-YLMETHYL)(4… · U7J A303 · binds GLN92, HIS94, HIS96, HIS119, VAL121, ASP130, PHE131, GLY132 and 6 more
  • 7SV8 · Carbonic anhydrase IX-mimic complexed with 3-((2-((furan-2-ylmethyl)… · U7J A303 · binds PHE20, LEU91, GLN92, HIS94, HIS96, HIS119, VAL121, VAL131 and 7 more

Residues it binds most

HIS 2, VAL 2, THR 2, LEU 2, PRO 2, GLN 2, PHE 2, TRP 2, ASP 1, GLY 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol
  • GOL · Glycerol

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