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Ligand · U62

U62 · 4~{H}-thieno[3,2-c]chromene-2-carboxylic acid

U62, 4~{H}-thieno[3,2-c]chromene-2-carboxylic acid (C12 H8 O3 S, 232.2 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 most and the…

Component
U62
Formula
C12 H8 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

U62 in 2 structures; the first of them:

  • 7BO2 · Notum Fragment_130 (4H-thieno[3,2-c]chromene-2-carboxylic acid) · U62 A515 · binds GLY126, GLY127, TRP128, TYR129, VAL187, SER232, ALA233, THR236 and 8 more
  • 7BO2 · Notum FRAGMENT_130 (4H-THIENO[3,2-C]CHROMENE-2-carboxylic acid) · U62 A515 · binds GLY126, GLY127, TRP128, TYR129, VAL187, SER232, ALA233, THR236 and 8 more

Residues it binds most

PHE 2, ALA 2, GLY 2, VAL 2, HIS 2, ILE 2, PRO 2, SER 2, THR 2, TRP 2 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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