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 |
---|---|---|---|---|---|
5OO6 | Download | Experimental | e5oo6B1 e5oo6E1 e5oo6H1 e5oo6K1 e5oo6N1 e5oo6Q1 e5oo6T1 e5oo6W1 | Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits | LigPlot |
5OOB | Download | Experimental | e5oobB1 e5oobD1 e5oobG1 e5oobJ1 | Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits | LigPlot |