PDB ligand accession: 112
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: ZAOVTTQZIXCKOL-JJNLEZRASA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)SCC(=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 |
---|---|---|---|---|---|
1RQQ | Download | Experimental | e1rqqA1 e1rqqB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
1GAG | Download | Experimental | e1gagA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |