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Ligand · 1B4

1B4 · N-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

1B4, N-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (C19 H22 N4 O4, 370.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
1B4
Formula
C19 H22 N4 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

1B4 in 2 structures; the first of them:

  • 4I0R · Crystal structure of spleen tyrosine kinase complexed with… · 1B4 A701 · binds LEU377, VAL385, ALA400, VAL433, MET448, GLU449, MET450, ALA451 and 8 more
  • 4I0R · Crystal structure of spleen tyrosine kinase complexed with 2-(3,4,5… · 1B4 A701 · binds LEU377, VAL385, ALA400, VAL433, MET448, GLU449, MET450, ALA451 and 8 more

Residues it binds most

LEU 2, ALA 2, GLU 2, MET 2, VAL 2, ASN 2, ASP 2, GLY 2, PRO 2, SER 2 (residue and the binding sites it lines).

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