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Ligand · GI8

GI8 · (4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl) thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile

GI8, (4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl) thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile (C24 H23 N5 O2 S, 445.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
GI8
Formula
C24 H23 N5 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

GI8 in 2 structures; the first of them:

  • 5GVL · Plasmodium vivax SHMT bound with PLP-glycine and GS182 · GI8 A502 · binds LEU124, GLY127, GLY128, HIS129, LEU130, PHE134, VAL141, THR183 and 12 more
  • 5GVL · Plasmodium vivax shmt bound with plp-glycine and GS182 · GI8 A502 · binds LEU124, GLY127, GLY128, HIS129, LEU130, PHE134, VAL141, THR183 and 12 more

Residues it binds most

ASN 6, GLY 6, LEU 6, THR 6, PRO 6, TYR 4, ARG 6, CYS 6, 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

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