GL1X · GenesisL1 explorer

Ligand · A0E

A0E · methyl N-[(2-{4-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}phenyl)methyl]-beta-alaninate

A0E, methyl N-[(2-{4-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}phenyl)methyl]-beta-alaninate (C27 H30 F N7 O3, 519.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
A0E
Formula
C27 H30 F N7 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

A0E in 2 structures; the first of them:

  • 7SPS · Crystal structure of human glucose transporter GLUT3 bound with exofacial inhibitor SA47 · A0E A501 · binds PHE24, THR28, ASN32, PHE70, SER71, GLN159, VAL163, ILE166 and 17 more
  • 7SPS · Crystal structure of human glucose transporter GLUT3 bound with exofacial inhibitor SA47 · A0E A501 · binds PHE24, THR28, ASN32, PHE70, GLN159, VAL163, ILE166, GLN170 and 16 more

Residues it binds most

ASN 4, GLN 4, PHE 4, THR 4, ILE 4, TRP 4, VAL 4, GLU 4, GLY 4, ALA 3 (residue and the binding sites it lines).

Found with

  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.