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Ligand · 3JA

3JA · 5-(1-methyl-1H-pyrazol-4-yl)-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine

3JA, 5-(1-methyl-1H-pyrazol-4-yl)-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine (C14 H16 N6 O, 284.3 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
3JA
Formula
C14 H16 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3JA in 2 structures; the first of them:

  • 4W8D · Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06454589). · 3JA A500 · binds ILE30, GLY31, LYS32, GLY33, VAL38, ALA51, THR83, MET99 and 8 more
  • 4W8D · Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (pf- 06454589). · 3JA A500 · binds ILE30, GLY31, LYS32, GLY33, VAL38, ALA51, THR83, MET99 and 8 more

Residues it binds most

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

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