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Ligand · 21Y

21Y · 1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one

21Y, 1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one (C16 H21 Cl2 N3 O3, 374.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
21Y
Formula
C16 H21 Cl2 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

21Y in 2 structures; the first of them:

  • 4M21 · Crystal Structure of small molecule acrylamide 11 covalently bound to K-Ras G12C · 21Y B201 · binds VAL9, GLY10, ALA11, CYS12, LYS16, THR58, ARG68, TYR71 and 4 more
  • 4M21 · Crystal structure of small molecule acrylamide 11 covalently bound to K-RAS G12C · 21Y B201 · binds VAL9, GLY10, ALA11, CYS12, LYS16, THR58, ARG68, TYR71 and 4 more

Residues it binds most

TYR 2, ALA 2, ARG 2, CYS 2, GLN 2, GLY 2, ILE 2, LYS 2, MET 2, THR 2 (residue and the binding sites it lines).

Found with

  • GDP · Guanosine-5'-diphosphate

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