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Ligand · 2IE

2IE · 2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide

2IE, 2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide (C26 H27 N3 O4, 445.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
2IE
Formula
C26 H27 N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

2IE in 2 structures; the first of them:

  • 7R60 · BTK in complex with 18A · 2IE A701 · binds LEU408, VAL416, ALA428, LYS430, MET449, ILE472, THR474, GLU475 and 10 more
  • 7R60 · Btk in complex with 18A · 2IE A701 · binds LEU408, VAL416, ALA428, LYS430, MET449, ILE472, THR474, GLU475 and 10 more

Residues it binds most

LEU 2, MET 2, ALA 2, ARG 2, ASN 2, ASP 2, CYS 2, GLU 2, ILE 2, LYS 2 (residue and the binding sites it lines).

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