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Ligand · LEQ

LEQ · 5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one

LEQ, 5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one (C14 H14 N2 O2 S, 274.3 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…

Component
LEQ
Formula
C14 H14 N2 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

LEQ in 2 structures; the first of them:

  • 6SI5 · T. cruzi FPPS in complex with 1-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbon… · LEQ A401 · binds LYS48, PHE50, ARG51, THR54, THR212, TYR213, PHE246, VAL353 and 2 more
  • 6SI5 · T. cruzi fpps in complex with 1-methyl-5-(4,5,6,7-TETRAHYDROTHIENO[3… · LEQ A401 · binds LYS48, PHE50, ARG51, THR54, THR212, TYR213, PHE246, LYS356 and 1 more

Residues it binds most

THR 2, LYS 2, PHE 2, ARG 2, TYR 2, VAL 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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