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 |
|---|---|---|---|---|
| O95819 | Download | Predicted | O95819_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
| 4OBO | Predicted | e4oboA1 e4oboB1 | ||
| 4OBP | Predicted | e4obpA1 e4obpB1 | ||
| 4OBQ | Predicted | e4obqA1 e4obqB1 | ||
| 4RVT | Predicted | e4rvtA1 e4rvtB1 | ||
| 4U3Y | Predicted | e4u3yB1 e4u3yA1 | ||
| 4U3Z | Predicted | e4u3zA1 e4u3zB1 | ||
| 4U40 | Predicted | e4u40B1 e4u40A1 | ||
| 4U41 | Predicted | e4u41A1 e4u41B1 | ||
| 4U42 | Predicted | e4u42A1 e4u42B1 | ||
| 4U43 | Predicted | e4u43A1 e4u43B1 | ||
| 4U44 | Predicted | e4u44A1 e4u44B1 | ||
| 4U45 | Predicted | e4u45A1 e4u45B1 | ||
| 4ZK5 | Predicted | e4zk5A1 e4zk5B1 | ||
| 4ZP5 | Predicted | e4zp5A1 e4zp5B1 | ||
| 5DI1 | Predicted | e5di1B1 e5di1A1 | ||
| 5J95 | Predicted | e5j95A1 e5j95B1 | ||
| 5W5Q | Predicted | e5w5qB1 e5w5qA1 |