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Ligand · A1L23

A1L23 · (2~{S})-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1~{H}-pyrimidin-5-yl]carbamoylamino]-3-chloranyl-phenyl]carbonylamino]pentanedioic acid

A1L23, (2~{S})-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1~{H}-pyrimidin-5-yl]carbamoylamino]-3-chloranyl-phenyl]carbonylamino]pentanedioic acid (C17 H18 Cl N7 O7, 467.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2…

Component
A1L23
Formula
C17 H18 Cl N7 O7
Class
ligand
Structures
2
PDB entries
2

Binding sites

A1L23 in 2 structures; the first of them:

  • 9ISL · Human MTHFD1 in complex with compound 16e · A1L23 A401 · binds TYR52, VAL55, LYS56, LEU98, VAL99, GLN100, LEU101, ASP125 and 10 more
  • 9IT3 · Human MTHFD2 in complex with compound 16e · A1L23 A401 · binds SER83, TYR84, ASN87, LYS88, LEU130, VAL131, GLN132, LEU133 and 12 more

Residues it binds most

GLY 6, LEU 6, VAL 6, PRO 6, ILE 6, THR 6, ASP 6, GLN 6, LYS 6, TYR 6 (residue and the binding sites it lines).

Found with

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

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