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Ligand · 8UF

8UF · 2-[1-[(3~{S})-6'-azanyl-5'-cyano-7-fluoranyl-2,2,3'-trimethyl-spiro[1~{H}-indene-3,4'-2~{H}-pyrano[2,3-c]pyrazole]-5-yl]piperidin-4-yl]ethanoic acid

8UF, 2-[1-[(3~{S})-6'-azanyl-5'-cyano-7-fluoranyl-2,2,3'-trimethyl-spiro[1~{H}-indene-3,4'-2~{H}-pyrano[2,3-c]pyrazole]-5-yl]piperidin-4-yl]ethanoic acid (C25 H28 F N5 O3, 465.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
8UF
Formula
C25 H28 F N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

8UF in 2 structures; the first of them:

  • 5YG4 · Plasmodium vivax SHMT bound with PLP-glycine and S-GS849 · 8UF A502 · binds LEU124, GLY127, GLY128, HIS129, LEU130, VAL141, THR183, SER184 and 10 more
  • 5YG4 · Plasmodium vivax shmt bound with plp-glycine and S-GS849 · 8UF A502 · binds LEU124, GLY127, GLY128, HIS129, LEU130, VAL141, THR183, SER184 and 10 more

Residues it binds most

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

Found with

  • CL · Chloride ion
  • GOL · Glycerol

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