PDB ligand accession: A3D
DrugBank: DB03363
PubChem: 123926;131704240;
ChEMBL: n/a
InChI Key: KPVQNXLUPNWQHM-RBEMOOQDSA-N
SMILES: CC(=O)c1ccc[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Nucleosides, nucleotides, and analogues
- Class: (5'->5')-dinucleotides
- Subclass: None
- Class: (5'->5')-dinucleotides
- Superclass: Nucleosides, nucleotides, and analogues
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4ND2 | Download | Experimental | e4nd2A1 e4nd2A2 e4nd2B1 e4nd2B2 | Rossmann-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like | LigPlot |