Ligand · IE8

IE8 · 5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine

IE8, 5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine (C24 H20 N4 O2, 396.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component: IE8
Formula: C24 H20 N4 O2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

IE8 in 2 structures; the first of them:

4BID · Crystal Structures of Ask1-inhibitor Complexes · IE8 A4000 · binds LEU686, GLY687, LYS688, GLY689, THR690, VAL694, ALA707, LYS709 and 13 more
4BID · Crystal structures of ASK1-inhibitor complexes · IE8 A4000 · binds LEU686, GLY687, LYS688, GLY689, THR690, VAL694, ALA707, LYS709 and 13 more

Residues it binds most

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

Found with

ACT · Acetate ion

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