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Ligand · TJM

TJM · 5-(2,5-dimethyl-3-thienyl)-1H-pyrazole-3-carboxamide

TJM, 5-(2,5-dimethyl-3-thienyl)-1H-pyrazole-3-carboxamide (C10 H11 N3 O S, 221.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
TJM
Formula
C10 H11 N3 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

TJM in 2 structures; the first of them:

  • 4UY1 · Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors · TJM A1130 · binds ILE2, LEU5, ALA6, VAL9, PRO17, TYR20, PHE26, CYS27 and 6 more
  • 4UY1 · Novel pyrazole series of group X secretory phospholipase A2 (SPLA2-X) inhibitors · TJM A1130 · binds ILE2, LEU5, ALA6, VAL9, PRO17, TYR20, PHE26, CYS27 and 6 more

Residues it binds most

CYS 4, ILE 4, LEU 4, GLY 4, ALA 4, ASP 4, HIS 4, PHE 4, PRO 4, TYR 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • 1PE · Pentaethylene glycol
  • DMS · Dimethyl sulfoxide
  • PEG · Di(hydroxyethyl)ether

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