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 |
---|---|---|---|---|
Q13523 | Download | Predicted | Q13523_F1_nD1 Q13523_F1_nD2 | Interferon-induced guanylate-binding protein 1 (GBP1), C-terminal domain Protein kinase/SAICAR synthase/ATP-grasp |
4IAN | Predicted | e4ianB1 e4ianA1 | ||
4IFC | Predicted | e4ifcA1 e4ifcB1 | ||
4IIR | Predicted | e4iirB1 e4iirA1 | ||
4IJP | Predicted | e4ijpA1 e4ijpB1 | ||
6CNH | Predicted | e6cnhA1 | ||
6PJJ | Predicted | e6pjjA1 e6pjjB1 e6pjjC1 e6pjjD1 | ||
6PK6 | Predicted | e6pk6A1 | ||
6QX9 | Predicted | e6qx9K1 |