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Ligand · U65

U65 · methyl 3~{a},4-dihydro-3~{H}-thieno[3,2-c]chromene-2-carboxylate

U65, methyl 3~{a},4-dihydro-3~{H}-thieno[3,2-c]chromene-2-carboxylate (C13 H10 O3 S, 246.3 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…

Component
U65
Formula
C13 H10 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

U65 in 2 structures; the first of them:

  • 7BO5 · Notum Fragment_130_methyEster (methyl 4H-thieno[3,2-c]chromene-2-carboxylate) · U65 A506 · binds GLY127, TRP128, TYR129, SER232, ALA233, THR236, PHE268, PRO287 and 6 more
  • 7BO5 · Notum FRAGMENT_130_METHYESTER (methyl 4H-THIENO[3,2-C]CHROMENE-2- carboxylate) · U65 A506 · binds GLY127, TRP128, TYR129, SER232, ALA233, THR236, PHE268, PRO287 and 6 more

Residues it binds most

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

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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