PDB ligand accession: ATP
DrugBank: DB00171
PubChem:
ChEMBL:
InChI Key: ZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)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 |
---|---|---|---|---|---|
3MHY | Download | Experimental | e3mhyA1 e3mhyC1 e3mhyA1 e3mhyB1 e3mhyB1 e3mhyC1 | Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits | LigPlot |
4CO3 | Download | Experimental | e4co3A1 e4co3B1 | Alpha-beta plaits Alpha-beta plaits | LigPlot |
4CO4 | Download | Experimental | e4co4A1 e4co4C1 e4co4A1 e4co4B1 | Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits | LigPlot |