PDB ligand accession: MGT
DrugBank: DB03358
PubChem: 5288807;6323407;135486126;
ChEMBL:
InChI Key: BUJQMJUTTBGELS-KQYNXXCUSA-N
SMILES: CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Nucleosides, nucleotides, and analogues
- Class: Purine nucleotides
- Subclass: Purine ribonucleotides
- Class: Purine nucleotides
- Superclass: Nucleosides, nucleotides, and analogues
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4N48 | Download | Experimental | e4n48A1 e4n48B1 | Rossmann-like Rossmann-like | LigPlot |
4N49 | Download | Experimental | e4n49A1 | Rossmann-like | LigPlot |