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 |
---|---|---|---|---|
P41240 | Download | Predicted | P41240_F1_nD3 P41240_F1_nD1 P41240_F1_nD2 | Protein kinase/SAICAR synthase/ATP-grasp SH3 SH2 |
1BYG | Predicted | e1bygA1 | ||
1CSK | Predicted | e1cskD1 e1cskC1 e1cskB1 e1cskA1 | ||
3D7T | Predicted | e3d7tA1 | ||
3D7U | Predicted | e3d7uA1 e3d7uC1 | ||
3EAZ | Predicted | e3eazA1 |