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 |
---|---|---|---|---|
Q9NSY1 | Download | Predicted | Q9NSY1_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
4W9W | Predicted | e4w9wA1 | ||
4W9X | Predicted | e4w9xA1 | ||
5I3O | Predicted | e5i3oA1 e5i3oB1 | ||
5I3R | Predicted | e5i3rA1 e5i3rB1 | ||
5IKW | Predicted | e5ikwA1 |