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 |
|---|---|---|---|---|
| P19525 | Download | Predicted | P19525_F1_nD3 P19525_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp dsRBD-like |
| 1QU6 | Predicted | e1qu6A1 e1qu6A2 | ||
| 2A19 | Predicted | e2a19B1 e2a19C1 | ||
| 2A1A | Predicted | e2a1aB1 | ||
| 3UIU | Predicted | e3uiuA1 e3uiuB2 | ||
| 6D3K | Predicted | e6d3kA1 e6d3kC1 e6d3kB1 | ||
| 6D3L | Predicted | e6d3lA1 |