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Ligand · 9S5

9S5 · (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone

9S5, (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone (C19 H24 N6 O2, 368.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
9S5
Formula
C19 H24 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

9S5 in 2 structures; the first of them:

  • 7SLY · Vanin-1 complexed with Compound 27 · 9S5 A502 · binds GLU58, ASP59, TRP64, LYS157, PHE161, GLU164, CYS190, PHE191 and 12 more
  • 7SLY · Vanin-1 complexed with compound 27 · 9S5 A502 · binds GLU58, TRP64, LYS157, PHE161, GLU164, CYS190, PHE191, ALA216 and 10 more

Residues it binds most

GLU 2, PHE 2, LYS 2, MET 2, TRP 2, VAL 2, LEU 2, ALA 2, CYS 2, TYR 2 (residue and the binding sites it lines).

Found with

  • BMA · beta-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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