PDB ligand accession: A4P
DrugBank: DB04158
PubChem: 5287583;6323200;135509074;
ChEMBL: n/a
InChI Key: ZKRKFZJAQKKHKL-SUGPNEFASA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4=NC5=C(NC4)N=C(NC5=O)N)O)O)N
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 |
---|---|---|---|---|---|
1EX8 | Download | Experimental | e1ex8A1 | Alpha-beta plaits | LigPlot |