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Ligand · 3Z0

3Z0 · [(3R)-3-aminopiperidin-1-yl][2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzimidazol-5-yl]methanone

3Z0, [(3R)-3-aminopiperidin-1-yl][2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzimidazol-5-yl]methanone (C24 H28 N6 O2, 432.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
3Z0
Formula
C24 H28 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3Z0 in 2 structures; the first of them:

  • 4X8G · Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK199 · 3Z0 A705 · binds GLY408, VAL469, HIS471, ASP473, GLU474, PHE515, GLU580, ALA581 and 7 more
  • 4X8G · Crystal structure of human peptidylarginine deiminase TYPE4 (PAD4) in complex with GSK199 · 3Z0 A705 · binds GLY408, VAL469, HIS471, ASP473, GLU474, PHE515, GLU580, ALA581 and 7 more

Residues it binds most

PHE 2, ASN 2, GLU 2, VAL 2, ALA 2, ASP 2, GLY 2, HIS 2, PRO 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion

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