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 |
---|---|---|---|---|
P04049 | Download | Predicted | P04049_F1_nD1 P04049_F1_nD3 P04049_F1_nD2 | beta-Grasp Protein kinase/SAICAR synthase/ATP-grasp RING/U-box-like |
1C1Y | Predicted | e1c1yB1 | ||
1FAQ | Predicted | e1faqA1 | ||
1FAR | Predicted | e1farA1 | ||
1GUA | Predicted | e1guaB1 | ||
1RFA | Predicted | e1rfaA1 | ||
3KUC | Predicted | e3kucB1 | ||
3KUD | Predicted | e3kudB1 | ||
3OMV | Predicted | e3omvA1 e3omvB1 | ||
4G0N | Predicted | e4g0nB1 | ||
4G3X | Predicted | e4g3xB1 |