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 |
---|---|---|---|---|---|
2H3U | Download | Experimental | e2h3uA1 e2h3uA2 e2h3uB1 e2h3uB2 | CoA-dependent acyltransferases CoA-dependent acyltransferases CoA-dependent acyltransferases CoA-dependent acyltransferases | LigPlot |
2H3P | Download | Experimental | e2h3pA1 e2h3pA2 | CoA-dependent acyltransferases CoA-dependent acyltransferases | LigPlot |
2H3W | Download | Experimental | e2h3wA1 e2h3wA2 e2h3wB1 e2h3wB2 | CoA-dependent acyltransferases CoA-dependent acyltransferases CoA-dependent acyltransferases CoA-dependent acyltransferases | LigPlot |