GL1X · GenesisL1 explorer

Ligand · X1A

X1A · N-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide

X1A, N-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide (C18 H22 N8 O S, 398.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
X1A
Formula
C18 H22 N8 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

X1A in 2 structures; the first of them:

  • 7KHV · CpOGA IN COMPLEX WITH LIGAND 54 · X1A A701 · binds GLY187, PHE188, TYR189, LYS218, ASP297, ASN298, CYS331, TYR335 and 13 more
  • 7KHV · Cpoga in complex with ligand 54 · X1A A701 · binds GLY187, TYR189, LYS218, ASP297, ASN298, CYS331, TYR335, THR366 and 9 more

Residues it binds most

TYR 12, ASN 12, ASP 12, THR 12, TRP 12, LYS 12, VAL 9, CYS 12, GLY 12, ILE 12 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion

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