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Ligand · 20H

20H · 1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide

20H, 1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide (C16 H20 Cl2 N2 O3 S, 391.3 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
20H
Formula
C16 H20 Cl2 N2 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

20H in 2 structures; the first of them:

  • 4LV6 · Crystal Structure of small molecule disulfide 4 covalently bound to K-Ras G12C · 20H A203 · binds VAL7, VAL9, GLY10, ALA11, CYS12, GLY13, PRO34, THR58 and 10 more
  • 4LV6 · Crystal structure of small molecule disulfide 4 covalently bound to K- RAS G12C · 20H A203 · binds VAL7, VAL9, GLY10, ALA11, CYS12, GLY13, PRO34, THR58 and 10 more

Residues it binds most

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

Found with

  • GDP · Guanosine-5'-diphosphate
  • CA · Calcium ion

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