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Ligand · I5S

I5S · Isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino)ethyl)amide

I5S, Isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino)ethyl)amide (C20 H22 Cl N3 O3 S, 419.9 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5…

Component
I5S
Formula
C20 H22 Cl N3 O3 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

I5S in 6 structures; the first of them:

  • 2C1A · Structure of cAMP-dependent protein kinase complexed with Isoquinoline-5-sulfonic acid… · I5S A1351 · binds LEU49, GLY50, THR51, GLY52, GLY55, ARG56, VAL57, ALA70 and 14 more
  • 2JDO · Structure of pkb-beta (AKT2) complexed with isoquinoline-5-sulfonic acid… · I5S A1480 · binds LEU158, GLY159, LYS160, GLY161, GLY164, LYS165, VAL166, ALA179 and 14 more
  • 2JDT · Structure of PKA-PKB chimera complexed with ISOQUINOLINE-5-SULFONIC ACID… · I5S A1351 · binds LEU49, GLY50, THR51, GLY52, GLY55, ARG56, VAL57, ALA70 and 14 more
  • 2C1A · Structure of camp-dependent protein kinase complexed with isoquinoline-5-sulfonic acid… · I5S A1351 · binds LEU49, GLY50, THR51, GLY52, GLY55, ARG56, VAL57, ALA70 and 14 more
  • 2JDO · Structure of pkb-beta (AKT2) complexed with isoquinoline-5- sulfonic acid… · I5S A1480 · binds LEU158, GLY159, LYS160, GLY161, GLY164, LYS165, VAL166, ALA179 and 14 more
  • 2JDT · Structure of PKA-pkb chimera complexed with isoquinoline-5- sulfonic acid… · I5S A1351 · binds LEU49, GLY50, THR51, GLY52, GLY55, ARG56, VAL57, ALA70 and 14 more

Residues it binds most

GLU 6, GLY 6, THR 6, LEU 6, ALA 6, LYS 6, MET 6, VAL 6, ARG 6, ASN 6 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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