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Ligand · 22Y

22Y · 3-(5-amino-6-{[(1R)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid

22Y, 3-(5-amino-6-{[(1R)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid (C19 H17 Cl N4 O2, 368.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
22Y
Formula
C19 H17 Cl N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

22Y in 2 structures; the first of them:

  • 4M49 · Lactate Dehydrogenase A in complex with a substituted pyrazine inhibitor compound 18 · 22Y A803 · binds VAL30, ARG98, ASN137, HIS192, GLY193, ALA237, ILE241, GLY245 and 2 more
  • 4M49 · Lactate dehydrogenase a in complex with a substituted pyrazine inhibitor compound 18 · 22Y A803 · binds VAL30, ARG98, ASN137, HIS192, GLY193, ALA237, ILE241, GLY245 and 2 more

Residues it binds most

TYR 6, GLY 6, ALA 6, ARG 6, ASN 6, HIS 6, ILE 6, THR 6, VAL 6 (residue and the binding sites it lines).

Found with

  • LAC · Lactic acid
  • NAI · 1,4-dihydronicotinamide adenine dinucleotide
  • SO4 · Sulfate ion
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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