Ligand · 21R

21R · N-{1-[N-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide

21R, N-{1-[N-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide (C17 H25 Cl2 N3 O3 S, 422.4 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: 21R
Formula: C17 H25 Cl2 N3 O3 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

21R in 2 structures; the first of them:

4M1W · Crystal Structure of small molecule vinylsulfonamide covalently bound to K-Ras G12C · 21R A202 · binds CYS12
4M1W · Crystal structure of small molecule vinylsulfonamide covalently bound to K-RAS G12C · 21R A202 · binds CYS12

Residues it binds most

VAL 4, TYR 4, ALA 4, CYS 6, GLN 4, GLY 4, MET 4, ARG 4, GLU 2, ILE 4 (residue and the binding sites it lines).

Found with

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

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