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 |
---|---|---|---|---|
P21709 | Download | Predicted | P21709_F1_nD7 P21709_F1_nD6 P21709_F1_nD1 | HhH/H2TH Protein kinase/SAICAR synthase/ATP-grasp jelly-roll |
3HIL | Predicted | e3hilA1 e3hilB1 | ||
3KKA | Predicted | e3kkaA1 e3kkaB1 |