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Ligand · I9V

I9V · 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid

I9V, 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid (C14 H16 Cl N5 O4 S, 385.8 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues…

Component
I9V
Formula
C14 H16 Cl N5 O4 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

I9V in 1 structure; the first of them:

  • 7Y0F · Crystal structure of TMPRSS2 in complex with UK-371804 · I9V C601 · binds HIS296, GLU389, LYS390, TYR416, ASP435, SER436, CYS437, GLN438 and 13 more

Residues it binds most

SER 2, GLY 2, CYS 2, ALA 2, ARG 2, ASP 2, GLN 2, GLU 2, HIS 2, LYS 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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