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 |
---|---|---|---|---|
Q12852 | Download | Predicted | Q12852_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
5CEN | Predicted | e5cenA1 | ||
5CEO | Predicted | e5ceoA1 | ||
5CEP | Predicted | e5cepA1 | ||
5CEQ | Predicted | e5ceqA1 | ||
5VO1 | Predicted | e5vo1A1 |