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 |
---|---|---|---|---|
Q14012 | Download | Predicted | Q14012_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
4FG7 | Predicted | e4fg7A2 | ||
4FG8 | Predicted | e4fg8A2 e4fg8B2 | ||
4FG9 | Predicted | e4fg9B2 e4fg9A2 | ||
4FGB | Predicted | e4fgbA1 |