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 |
---|---|---|---|---|---|
8PS1 | Download | Experimental | e8ps1G2 e8ps1G3 e8ps1G4 | Alpha-beta plaits Flavodoxin-like N-terminal domain in fatty acid synthase subunit beta | LigPlot |
8PRW | Download | Experimental | e8prwG1 e8prwG9 e8prwG11 e8prwJ1 e8prwJ7 e8prwI2 e8prwI7 e8prwH2 e8prwH5 e8prwK6 e8prwK11 e8prwL4 e8prwL10 | N-terminal domain in fatty acid synthase subunit beta Flavodoxin-like Alpha-beta plaits Alpha-beta plaits Flavodoxin-like Flavodoxin-like Alpha-beta plaits Alpha-beta plaits Flavodoxin-like Flavodoxin-like Alpha-beta plaits Alpha-beta plaits Flavodoxin-like | LigPlot |
8PRV | Download | Experimental | e8prvG7 e8prvG10 e8prvG11 | N-terminal domain in fatty acid synthase subunit beta Alpha-beta plaits Flavodoxin-like | LigPlot |