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Ligand · 1E0

1E0 · 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide

1E0, 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide (C18 H19 N5 O3, 353.4 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
1E0
Formula
C18 H19 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

1E0 in 2 structures; the first of them:

  • 4M13 · Crystal structure of ITK in complex with compound 8… · 1E0 A701 · binds TRP356, PHE403, GLU406, ALA407, MET410, MET411, LEU413, VAL419 and 13 more
  • 4M13 · Crystal structure of itk in complex with compound 8 [4… · 1E0 A701 · binds TRP356, PHE403, GLU406, ALA407, MET410, MET411, LEU413, VAL419 and 13 more

Residues it binds most

PHE 2, MET 2, VAL 2, GLY 2, LEU 2, ALA 2, ARG 2, ASP 2, GLN 2, GLU 2 (residue and the binding sites it lines).

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