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Ligand · U4L

U4L · (4P)-4-(5-methyl-1H-indazol-4-yl)-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-2-(pyrrolidin-1-yl) pyrimidine-5-carbonitrile

U4L, (4P)-4-(5-methyl-1H-indazol-4-yl)-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-2-(pyrrolidin-1-yl) pyrimidine-5-carbonitrile (C26 H30 N8 O, 470.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
U4L
Formula
C26 H30 N8 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

U4L in 2 structures; the first of them:

  • 8DNI · Crystal structure of human KRAS G12C covalently bound with Araxes WO2020/028706A1… · U4L A303 · binds GLY10, CYS12, LYS16, PRO34, THR58, ALA59, GLY60, GLN61 and 13 more
  • 8DNI · Crystal structure of human KRAS G12C covalently bound with araxes WO2020/028706A1… · U4L A303 · binds GLY10, CYS12, LYS16, PRO34, THR58, ALA59, GLY60, GLN61 and 13 more

Residues it binds most

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

Found with

  • GDP · Guanosine-5'-diphosphate
  • MG · Magnesium ion

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