GL1X · GenesisL1 explorer

Ligand · 9L9

9L9 · (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid

9L9, (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid (C17 H19 N7 O7, 433.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every…

Component
9L9
Formula
C17 H19 N7 O7
Class
ligand
Structures
3
PDB entries
3

Binding sites

9L9 in 3 structures; the first of them:

  • 6S4E · Structure of human MTHFD2 in complex with TH7299 · 9L9 A401 · binds SER83, TYR84, ASN87, LYS88, LEU130, VAL131, GLN132, LEU133 and 12 more
  • 9IS9 · human MTHFD2 in complex with LY374571 · 9L9 A401 · binds SER83, TYR84, ASN87, LYS88, LEU130, VAL131, GLN132, LEU133 and 12 more
  • 9ISE · Human MTHFD1 in complex with LY374571 · 9L9 A402 · binds LEU51, TYR52, VAL55, LYS56, LEU98, VAL99, GLN100, LEU101 and 11 more

Residues it binds most

LEU 7, GLY 7, VAL 7, PRO 7, ILE 7, THR 7, LYS 7, ASP 7, GLN 7, TYR 7 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide
  • PO4 · Phosphate ion
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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