PDB ligand accession: DDS
DrugBank: DB02189
PubChem: 65304;152743111;
ChEMBL:
InChI Key: OAKPWEUQDVLTCN-NKWVEPMBSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3CCC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Nucleosides, nucleotides, and analogues
- Class: Purine nucleotides
- Subclass: Purine deoxyribonucleotides
- Class: Purine nucleotides
- Superclass: Nucleosides, nucleotides, and analogues
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5TXM | Download | Experimental | e5txmA4 e5txmC3 | Alpha-beta plaits Alpha-beta plaits | LigPlot |
5TXP | Download | Experimental | e5txpA2 e5txpC3 | Alpha-beta plaits Alpha-beta plaits | LigPlot |