PDB ligand accession: 2RC
DrugBank: DB12010
InChI Key: GKDRMWXFWHEQQT-UHFFFAOYSA-N
SMILES: CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Aniline and substituted anilines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
|---|---|---|---|---|
| P51812 | Download | Predicted | P51812_F1_nD1 P51812_F1_nD2 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp |
| 4D9T | Predicted | e4d9tA1 | ||
| 4D9U | Predicted | e4d9uA1 | ||
| 4JG6 | Predicted | e4jg6A2 | ||
| 4JG7 | Predicted | e4jg7A1 | ||
| 4JG8 | Predicted | e4jg8A2 | ||
| 4NUS | Predicted | e4nusA1 | ||
| 4NW5 | Predicted | e4nw5A1 | ||
| 4NW6 | Predicted | e4nw6A1 | ||
| 5D9K | Predicted | e5d9kA1 e5d9kB1 | ||
| 5D9L | Predicted | e5d9lA1 |