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Ligand · LXL

LXL · 1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea

LXL, 1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea (C24 H30 N6 O2, 434.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
LXL
Formula
C24 H30 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

LXL in 2 structures; the first of them:

  • 5CA0 · Crystal structure of T2R-TTL-Lexibulin complex · LXL B504 · binds ASN101, THR179, ASN165, GLU198, TYR200, VAL236, THR237, CYS239 and 19 more
  • 5CA0 · Crystal structure of T2R-ttl-lexibulin complex · LXL B504 · binds ASN101, THR179, ASN165, GLU198, TYR200, VAL236, THR237, CYS239 and 19 more

Residues it binds most

ASN 4, ALA 4, LEU 4, THR 4, VAL 4, ILE 4, LYS 4, ASP 4, CYS 4, GLU 4 (residue and the binding sites it lines).

Found with

  • ACP · Phosphomethylphosphonic acid adenylate ester
  • GDP · Guanosine-5'-diphosphate
  • GTP · Guanosine-5'-triphosphate
  • CA · Calcium ion
  • MG · Magnesium ion
  • GOL · Glycerol
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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