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Ligand · 0JG

0JG · methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate

0JG, methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate (C21 H21 N5 O3, 391.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
0JG
Formula
C21 H21 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

0JG in 2 structures; the first of them:

  • 4D9T · Rsk2 C-terminal Kinase Domain with inhibitor (E)-methyl… · 0JG A900 · binds ILE428, SER434, CYS436, ALA449, VAL450, LYS451, GLU463, LEU467 and 10 more
  • 4D9T · RSK2 C-terminal kinase domain with inhibitor (E)-methyl 3-(4-amino-7… · 0JG A900 · binds ILE428, SER434, CYS436, ALA449, VAL450, LYS451, GLU463, LEU467 and 10 more

Residues it binds most

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

Found with

  • NA · Sodium ion

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