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Ligand · 21F

21F · N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide

21F, N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide (C16 H23 Cl I N3 O4 S, 515.8 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues…

Component
21F
Formula
C16 H23 Cl I N3 O4 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

21F in 4 structures; the first of them:

  • 4LYH · Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C · 21F B201 · binds VAL7, VAL8, VAL9, GLY10, ALA11, CYS12, THR58, GLU62 and 7 more
  • 4LYJ · Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C… · 21F A202 · binds VAL7, VAL8, VAL9, GLY10, ALA11, CYS12, THR58, GLU62 and 7 more
  • 4LYH · Crystal structure of small molecule vinylsulfonamide 9 covalently bound to K-RAS G12C · 21F B201 · binds VAL7, VAL8, VAL9, GLY10, ALA11, CYS12, THR58, GLU62 and 7 more
  • 4LYJ · Crystal structure of small molecule vinylsulfonamide 9 covalently bound to K-RAS G12C… · 21F A202 · binds VAL7, VAL8, VAL9, GLY10, ALA11, CYS12, THR58, GLU62 and 7 more

Residues it binds most

VAL 6, TYR 6, ALA 6, GLU 4, GLY 6, ARG 6, CYS 6, GLN 6, ILE 6, MET 6 (residue and the binding sites it lines).

Found with

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

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