GL1X · GenesisL1 explorer

Ligand · 7SU

7SU · (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid

7SU, (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid (C25 H18 Cl3 F N2 O4, 535.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
7SU
Formula
C25 H18 Cl3 F N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

7SU in 2 structures; the first of them:

  • 7PJN · Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH… · 7SU A601 · binds ALA111, ARG119, LEU120, VAL121, TRP124, ILE128, ILE130, VAL255 and 7 more
  • 7PJN · Crystal structure of ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH… · 7SU A601 · binds ALA111, ARG119, LEU120, VAL121, TRP124, ILE128, ILE130, VAL255 and 7 more

Residues it binds most

VAL 8, ALA 8, ILE 8, TRP 8, ARG 8, LEU 8, MET 8, SER 6, ASP 2, CYS 2 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • CIT · Citric acid
  • GOL · Glycerol

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