Ligand · IE4

IE4 · N-(2-aminoethyl)-5-{1H-pyrrolo[2,3-b]pyridin-3-yl}thiophene-2-sulfonamide

IE4, N-(2-aminoethyl)-5-{1H-pyrrolo[2,3-b]pyridin-3-yl}thiophene-2-sulfonamide (C13 H14 N4 O2 S2, 322.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component: IE4
Formula: C13 H14 N4 O2 S2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

IE4 in 2 structures; the first of them:

4BIC · Crystal Structures of Ask1-inhibitor Complexes · IE4 A1 · binds LEU686, GLY687, LYS688, GLY689, VAL694, ALA707, LYS709, VAL738 and 9 more
4BIC · Crystal structures of ASK1-inhibitor complexes · IE4 A1 · binds LEU686, GLY687, LYS688, GLY689, VAL694, ALA707, LYS709, VAL738 and 9 more

Residues it binds most

VAL 4, ASP 4, GLY 4, LEU 4, LYS 4, ALA 4, GLN 4, GLU 4, MET 4, SER 4 (residue and the binding sites it lines).

Found with

GOL · Glycerol

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