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Ligand · 21S

21S · N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide

21S, N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide (C15 H19 Cl2 N5 O3 S2, 452.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
21S
Formula
C15 H19 Cl2 N5 O3 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

21S in 2 structures; the first of them:

  • 4M1Y · Crystal Structure of small molecule vinylsulfonamide 15 covalently bound to K-Ras G12C · 21S B201 · binds VAL7, VAL8, VAL9, GLY10, ALA11, CYS12, LYS16, THR58 and 7 more
  • 4M1Y · Crystal structure of small molecule vinylsulfonamide 15 covalently bound to K-RAS G12C · 21S B201 · binds VAL7, VAL8, VAL9, GLY10, ALA11, CYS12, LYS16, THR58 and 7 more

Residues it binds most

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

Found with

  • GDP · Guanosine-5'-diphosphate

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