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Ligand · U50

U50 · 2-{[(5-tert-butyl-6-chloro-1H-indazol-3-yl) amino]methyl}-4-chloro-1-methyl-N-(1-propanoylazetidin-3-yl)-1H-imidazole-5-carboxamide

U50, 2-{[(5-tert-butyl-6-chloro-1H-indazol-3-yl) amino]methyl}-4-chloro-1-methyl-N-(1-propanoylazetidin-3-yl)-1H-imidazole-5-carboxamide (C23 H29 Cl2 N7 O2, 506.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
U50
Formula
C23 H29 Cl2 N7 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

U50 in 2 structures; the first of them:

  • 8DNK · Crystal structure of human KRAS G12C covalently bound with Taiho WO2020/085493A1 compound… · U50 A303 · binds VAL9, GLY10, ALA11, CYS12, LYS16, PRO34, GLU37, THR58 and 14 more
  • 8DNK · Crystal structure of human KRAS G12C covalently bound with taiho WO2020/085493A1 compound… · U50 A303 · binds VAL9, GLY10, ALA11, CYS12, LYS16, PRO34, GLU37, THR58 and 14 more

Residues it binds most

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

Found with

  • GDP · Guanosine-5'-diphosphate
  • MG · Magnesium ion
  • SO4 · Sulfate ion

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