PDB ligand accession: COA
DrugBank: DB01992
PubChem:
ChEMBL:
InChI Key: RGJOEKWQDUBAIZ-IBOSZNHHSA-N
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)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 |
---|---|---|---|---|---|
6YBP | Download | Experimental | e6ybpA2 e6ybpB1 e6ybpA1 e6ybpA2 e6ybpB2 e6ybpC2 e6ybpC1 e6ybpD2 e6ybpE1 e6ybpF1 e6ybpE1 e6ybpE2 e6ybpF2 | ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase | LigPlot |
8PN7 | Download | Experimental | e8pn7A2 e8pn7B2 e8pn7A1 e8pn7A2 e8pn7B1 e8pn7C2 e8pn7D1 e8pn7C1 e8pn7D2 e8pn7E1 e8pn7E2 e8pn7F1 e8pn7E1 e8pn7E2 e8pn7F2 | ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase | LigPlot |
6YBQ | Download | Experimental | e6ybqA2 e6ybqB1 e6ybqA1 e6ybqA2 e6ybqB2 e6ybqC1 e6ybqD1 e6ybqC2 e6ybqD2 e6ybqE1 e6ybqE2 e6ybqF2 e6ybqE1 e6ybqE2 e6ybqF1 | ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase | LigPlot |
8PN8 | Download | Experimental | e8pn8A1 e8pn8B2 e8pn8A1 e8pn8A2 e8pn8B1 e8pn8C1 e8pn8D2 e8pn8C2 e8pn8D1 e8pn8E2 e8pn8F1 e8pn8E1 e8pn8E2 e8pn8F2 | ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase | LigPlot |