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Ligand · U2U

U2U · N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide

U2U, N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide (C23 H21 N3 O4 S, 435.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within…

Component
U2U
Formula
C23 H21 N3 O4 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

U2U in 2 structures; the first of them:

  • 8DWH · CryoEM structure of Gq-coupled MRGPRX1 with ligand Compound-16 · U2U R401 · binds TYR82, SER95, LYS96, TYR99, PRO100, GLU157, CYS161, GLY162 and 5 more
  • 8HJ5 · Cryo-EM structure of Gq-coupled MRGPRX1 bound with Compound-16 · U2U F501 · binds LYS96, TYR99, GLU157, TRP158, CYS161, CYS173, ASP177, PHE236 and 2 more

Residues it binds most

CYS 2, PHE 2, TYR 2, ASP 2, GLU 2, LEU 2, LYS 2, GLY 1, PRO 1, SER 1 (residue and the binding sites it lines).

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