PDB ligand accession: DCA
DrugBank: DB01829
PubChem:
ChEMBL: n/a
InChI Key: ILWZMFJBPIYQKW-IBOSZNHHSA-N
SMILES: CCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=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 |
---|---|---|---|---|---|
1REQ | Download | Experimental | e1reqA1 e1reqB1 e1reqC1 e1reqD1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
1E1C | Download | Experimental | e1e1cA1 e1e1cB1 e1e1cC1 e1e1cD1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |