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Ligand · 9SS

9SS · (3R)-1-(2-{[1-(pyrimidin-5-yl) cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile

9SS, (3R)-1-(2-{[1-(pyrimidin-5-yl) cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile (C18 H19 N7 O, 349.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
9SS
Formula
C18 H19 N7 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

9SS in 2 structures; the first of them:

  • 7SLX · Vanin-1 complexed with Compound 11 · 9SS A502 · binds GLU58, ASP59, TRP64, LYS157, PHE161, GLU164, CSO190, PHE191 and 12 more
  • 7SLX · Vanin-1 complexed with compound 11 · 9SS A502 · binds GLU58, ASP59, TRP64, LYS157, PHE161, GLU164, CSO190, PHE191 and 9 more

Residues it binds most

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

Found with

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

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