GL1X · GenesisL1 explorer

Ligand · 33G

33G · (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

33G, (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (C25 H20 F N5 O, 425.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
33G
Formula
C25 H20 F N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

33G in 2 structures; the first of them:

  • 4TN4 · Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel… · 33G A503 · binds LEU124, GLY127, GLY128, HIS129, LEU130, PHE134, VAL141, THR183 and 13 more
  • 4TN4 · Crystal structure of ternary complex of plasmodium vivax shmt with glycine and a novel… · 33G A503 · binds LEU124, GLY127, GLY128, HIS129, LEU130, PHE134, VAL141, THR183 and 13 more

Residues it binds most

ASN 6, GLY 6, LEU 6, PHE 6, PRO 6, THR 6, CYS 6, TYR 4, HIS 6, LYS 6 (residue and the binding sites it lines).

Found with

  • PLG · N-glycine-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane]
  • CL · Chloride ion
  • BME · Beta-mercaptoethanol

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