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Ligand · 956

956 · 1-methyl-2-oxo-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]-1,2-dihydroquinoline-3-carbonitrile

956, 1-methyl-2-oxo-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]-1,2-dihydroquinoline-3-carbonitrile (C20 H18 N4 O2 S, 378.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
956
Formula
C20 H18 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

956 in 2 structures; the first of them:

  • 3L5T · Crystal structure of macrophage migration inhibitory factor (MIF) with… · 956 A123 · binds PRO1, MET2, LYS32, GLN35, TYR36, HIS62, SER63, ILE64 and 7 more
  • 3L5T · Crystal structure of macrophage migration inhibitory factor (mif) with… · 956 A123 · binds PRO1, MET2, LYS32, GLN35, TYR36, HIS62, SER63, ILE64 and 7 more

Residues it binds most

MET 2, PHE 2, TYR 2, ASN 2, GLN 2, HIS 2, ILE 2, LYS 2, PRO 2, SER 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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