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Ligand · 1K9

1K9 · 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea

1K9, 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea (C21 H18 F3 N3 O3 S2, 481.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
1K9
Formula
C21 H18 F3 N3 O3 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

1K9 in 2 structures; the first of them:

  • 4JA8 · Complex of Mitochondrial Isocitrate Dehydrogenase R140Q Mutant with AGI-6780 Inhibitor · 1K9 A502 · binds LEU160, TRP164, ILE290, VAL294, VAL297, LEU298, TRP306, TYR311 and 19 more
  • 4JA8 · Complex of mitochondrial isocitrate dehydrogenase R140Q mutant with agi-6780 inhibitor · 1K9 A502 · binds LEU160, TRP164, ILE290, VAL294, VAL297, LEU298, TRP306, TYR311 and 19 more

Residues it binds most

LEU 2, VAL 2, ILE 2, TRP 2, ASP 2, GLN 2, TYR 2 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • CA · Calcium ion
  • GOL · Glycerol

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