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Ligand · 9TC

9TC · (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl) methyl]amino}pyrimidin-5-yl)methanone

9TC, (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl) methyl]amino}pyrimidin-5-yl)methanone (C18 H22 N6 O2, 354.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
9TC
Formula
C18 H22 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

9TC in 2 structures; the first of them:

  • 7SLV · Vanin-1 complexed with Compound 3 · 9TC A502 · binds GLU58, ASP59, TRP64, LYS157, PHE161, MET162, GLU164, CYS190 and 13 more
  • 7SLV · Vanin-1 complexed with compound 3 · 9TC A502 · binds GLU58, ASP59, TRP64, LYS157, PHE161, GLU164, CYS190, PHE191 and 10 more

Residues it binds most

GLU 2, PHE 2, MET 2, LYS 2, TRP 2, LEU 2, VAL 2, ALA 2, ASP 2, CYS 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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