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Ligand · 22C

22C · 1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one

22C, 1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one (C15 H18 Cl2 N2 O3, 345.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
22C
Formula
C15 H18 Cl2 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

22C in 2 structures; the first of them:

  • 4M22 · Crystal Structure of small molecule acrylamide 16 covalently bound to K-Ras G12C · 22C B202 · binds VAL9, GLY10, ALA11, CYS12, GLY13, LYS16, PRO34, THR58 and 9 more
  • 4M22 · Crystal structure of small molecule acrylamide 16 covalently bound to K-RAS G12C · 22C B202 · binds VAL9, GLY10, ALA11, CYS12, GLY13, LYS16, PRO34, THR58 and 9 more

Residues it binds most

GLY 4, ALA 4, TYR 4, GLN 4, CYS 4, ILE 4, LYS 4, MET 4, PRO 4, THR 4 (residue and the binding sites it lines).

Found with

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

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