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Ligand · A1L24

A1L24 · (2~{S})-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1~{H}-pyrimidin-5-yl]carbamoylamino]-3-chloranyl-phenyl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid

A1L24, (2~{S})-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1~{H}-pyrimidin-5-yl]carbamoylamino]-3-chloranyl-phenyl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid (C17 H18 Cl N11 O5, 491.9 g/mol), in the MolNFT structures on…

Component
A1L24
Formula
C17 H18 Cl N11 O5
Class
ligand
Structures
2
PDB entries
2

Binding sites

A1L24 in 2 structures; the first of them:

  • 9ISR · Human MTHFD1 in complex with compound 16g · A1L24 A401 · binds LEU51, TYR52, VAL55, LYS56, LEU98, VAL99, GLN100, LEU101 and 13 more
  • 9IT6 · Human MTHFD2 in complex with compound 16g · A1L24 A401 · binds SER83, TYR84, ASN87, LYS88, LEU130, VAL131, GLN132, LEU133 and 12 more

Residues it binds most

LEU 6, VAL 6, GLY 6, PRO 6, ILE 6, TYR 6, THR 6, ASP 6, GLN 6, LYS 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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