PDB ligand accession: MI3
DrugBank: n/a
PubChem: 44620951;135564779;
ChEMBL: n/a
InChI Key: YLGJGIQMPBUPHB-LSCFUAHRSA-N
SMILES: CNc1ccccc1C(=O)OC2C(OC(C2O)n3cnc4c3N=CNC4=O)COP(=O)(O)OP(=O)(O)OP(=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 |
---|---|---|---|---|---|
3G82 | Download | Experimental | e3g82A1 e3g82B1 | Alpha-beta plaits Alpha-beta plaits | LigPlot |