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 |
|---|---|---|---|---|---|
| 6HXL | Download | Experimental | e6hxlA1 e6hxlB1 e6hxlC1 e6hxlD1 e6hxlD1 e6hxlE1 e6hxlG1 e6hxlH1 | Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like | LigPlot |
| 7RMP | Download | Experimental | e7rmpA1 e7rmpA1 e7rmpB1 e7rmpC1 e7rmpD1 | Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like | LigPlot |
| 6UUZ | Download | Experimental | e6uuzA3 e6uuzA5 e6uuzC1 e6uuzB3 e6uuzB5 e6uuzD1 e6uuzA1 e6uuzA3 e6uuzA5 e6uuzC3 e6uuzC5 e6uuzB1 e6uuzD3 e6uuzD5 | Flavodoxin-like Rossmann-like Citrate synthase-like Flavodoxin-like Rossmann-like Citrate synthase-like Citrate synthase-like Flavodoxin-like Rossmann-like Flavodoxin-like Rossmann-like Citrate synthase-like Flavodoxin-like Rossmann-like | LigPlot |
| 7LIW | Download | Experimental | e7liwB3 e7liwB4 e7liwB5 e7liwD1 | Flavodoxin-like Flavodoxin-like Rossmann-like Citrate synthase-like | LigPlot |
| 6UUW | Download | Experimental | e6uuwA3 e6uuwA4 e6uuwA5 e6uuwC1 e6uuwB3 e6uuwB4 e6uuwB5 e6uuwD1 e6uuwA1 e6uuwA3 e6uuwA5 e6uuwC3 e6uuwC4 e6uuwC5 e6uuwB1 e6uuwD3 e6uuwD4 e6uuwD5 | Flavodoxin-like Flavodoxin-like Rossmann-like Citrate synthase-like Flavodoxin-like Flavodoxin-like Rossmann-like Citrate synthase-like Citrate synthase-like Flavodoxin-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Citrate synthase-like Flavodoxin-like Flavodoxin-like Rossmann-like | LigPlot |
| 6UIA | Download | Experimental | e6uiaC3 e6uiaC5 e6uiaA1 e6uiaA3 e6uiaA5 e6uiaD1 e6uiaB3 e6uiaB4 e6uiaB5 | Flavodoxin-like Rossmann-like Citrate synthase-like Flavodoxin-like Rossmann-like Citrate synthase-like Flavodoxin-like Flavodoxin-like Rossmann-like | LigPlot |
| 6POE | Download | Experimental | e6poeB3 e6poeB5 e6poeD1 e6poeA1 e6poeA5 e6poeC1 e6poeD1 | Flavodoxin-like Rossmann-like Citrate synthase-like Citrate synthase-like Rossmann-like Citrate synthase-like Citrate synthase-like | LigPlot |
| 7RKZ | Download | Experimental | e7rkzA1 e7rkzC5 e7rkzA1 e7rkzB1 e7rkzC1 e7rkzD1 | Citrate synthase-like Rossmann-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like | LigPlot |
| 6HXM | Download | Experimental | e6hxmA1 e6hxmB1 | Citrate synthase-like Citrate synthase-like | LigPlot |
| 6QFB | Download | Experimental | e6qfbA2 e6qfbA4 e6qfbA5 e6qfbB2 e6qfbB3 e6qfbB5 e6qfbA5 e6qfbB4 e6qfbC4 e6qfbD4 | Flavodoxin-like Citrate synthase-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Rossmann-like Citrate synthase-like Citrate synthase-like Citrate synthase-like | LigPlot |
| 7RIG | Download | Experimental | e7rigA1 e7rigB1 e7rigC1 e7rigA1 e7rigB1 e7rigD1 e7rigA1 e7rigC1 e7rigD1 e7rigB1 e7rigC1 e7rigD1 | Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like | LigPlot |
| 6HXH | Download | Experimental | e6hxhA2 e6hxhA3 e6hxhA4 e6hxhA5 e6hxhB2 e6hxhB3 e6hxhB5 e6hxhC2 e6hxhC3 e6hxhC5 e6hxhD4 e6hxhC4 e6hxhD2 e6hxhD3 e6hxhD5 e6hxhE2 e6hxhE3 e6hxhE4 e6hxhE5 e6hxhF4 e6hxhE3 e6hxhE4 e6hxhE5 e6hxhF2 e6hxhF3 e6hxhF5 e6hxhG2 e6hxhG3 e6hxhG5 e6hxhH4 e6hxhG4 e6hxhG5 e6hxhH2 e6hxhH3 e6hxhH5 | Flavodoxin-like Flavodoxin-like Citrate synthase-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Citrate synthase-like Citrate synthase-like Flavodoxin-like Flavodoxin-like Rossmann-like Flavodoxin-like Flavodoxin-like Citrate synthase-like Rossmann-like Citrate synthase-like Flavodoxin-like Citrate synthase-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Citrate synthase-like Citrate synthase-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like | LigPlot |
| 8G5C | Download | Experimental | e8g5cA1 e8g5cB1 e8g5cC1 e8g5cD1 | Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like | LigPlot |