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Ligand · 8UR

8UR · 2-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]ethanoic acid

8UR, 2-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]ethanoic acid (C25 H28 F3 N5 O3, 503.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
8UR
Formula
C25 H28 F3 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

8UR in 2 structures; the first of them:

  • 5YG0 · Plasmodium vivax SHMT bound with PLP-glycine and GS657 · 8UR A502 · binds LEU124, GLY127, GLY128, HIS129, LEU130, PHE134, VAL141, THR183 and 13 more
  • 5YG0 · Plasmodium vivax shmt bound with plp-glycine and GS657 · 8UR A502 · binds LEU124, GLY128, HIS129, LEU130, VAL141, THR183, SER184, ASN354 and 10 more

Residues it binds most

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

Found with

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

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