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Ligand · G45

G45 · 5-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{N},~{N}-dimethyl-thiophene-2-sulfonamide

G45, 5-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{N},~{N}-dimethyl-thiophene-2-sulfonamide (C24 H24 N6 O3 S2, 508.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1…

Component
G45
Formula
C24 H24 N6 O3 S2
Class
ligand
Structures
1
PDB entries
1

Binding sites

G45 in 1 structure; the first of them:

  • 5GVK · Plasmodium vivax SHMT bound with PLP-glycine and GS256 · G45 A502 · binds LEU124, GLY127, GLY128, HIS129, LEU130, PHE134, VAL141, THR183 and 12 more

Residues it binds most

ASN 3, GLY 3, LEU 3, THR 3, PRO 3, TYR 2, ARG 3, CYS 3, HIS 3, LYS 3 (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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