GL1X · GenesisL1 explorer

Ligand · 99S

99S · methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate

99S, methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate (C24 H21 N5 O3 S, 459.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
99S
Formula
C24 H21 N5 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

99S in 2 structures; the first of them:

  • 4TMR · Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel… · 99S A502 · binds LEU124, GLY127, GLY128, HIS129, LEU130, PHE134, VAL141, THR183 and 12 more
  • 4TMR · Crystal structure of ternary complex of plasmodium vivax shmt with glycine and a novel… · 99S 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

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.