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Ligand · LXU

LXU · (4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile

LXU, (4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile (C18 H17 N5 O S, 351.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component
LXU
Formula
C18 H17 N5 O S
Class
ligand
Structures
1
PDB entries
1

Binding sites

LXU in 1 structure; the first of them:

  • 8AFD · CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a · LXU A204 · binds VAL9, GLY60, GLN61, GLU62, GLU63, TYR64, ARG68, ASP69 and 8 more

Residues it binds most

VAL 2, ARG 2, GLN 2, GLU 2, TYR 2, ASP 2, GLY 2, HIS 2, ILE 2, MET 2 (residue and the binding sites it lines).

Found with

  • 2XO · 1H-benzimidazol-2-ylmethanethiol
  • GDP · Guanosine-5'-diphosphate
  • MG · Magnesium ion

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