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 |
---|---|---|---|---|
P49760 | Download | Predicted | P49760_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
3NR9 | Predicted | e3nr9A1 e3nr9B1 e3nr9C1 | ||
5UNP | Predicted | e5unpA1 e5unpB1 | ||
6FYI | Predicted | e6fyiA1 | ||
6FYK | Predicted | e6fykA1 e6fykB1 e6fykC1 | ||
6FYL | Predicted | e6fylA1 | ||
6KHE | Predicted | e6kheA1 |