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 |
|---|---|---|---|---|
| P49759 | Download | Predicted | P49759_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
| 1Z57 | Predicted | e1z57A1 | ||
| 2VAG | Predicted | e2vagA1 | ||
| 5J1V | Predicted | e5j1vA1 e5j1vB1 e5j1vC1 | ||
| 5J1W | Predicted | e5j1wA1 e5j1wB1 e5j1wC1 | ||
| 5X8I | Predicted | e5x8iB1 e5x8iA1 | ||
| 6FT8 | Predicted | e6ft8A1 | ||
| 6FT9 | Predicted | e6ft9A1 e6ft9B1 e6ft9C1 | ||
| 6FYO | Predicted | e6fyoA1 | ||
| 6G33 | Predicted | e6g33A1 e6g33B1 e6g33C1 | ||
| 6I5H | Predicted | e6i5hA1 | ||
| 6I5I | Predicted | e6i5iA1 | ||
| 6I5K | Predicted | e6i5kC1 e6i5kA1 e6i5kB1 | ||
| 6I5L | Predicted | e6i5lA1 e6i5lC1 e6i5lB1 | ||
| 6KHD | Predicted | e6khdB1 e6khdA1 e6khdC1 | ||
| 6Q8K | Predicted | e6q8kA1 | ||
| 6Q8P | Predicted | e6q8pA1 e6q8pB1 e6q8pC1 | ||
| 6RAA | Predicted | e6raaA1 |