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 |
---|---|---|---|---|
Q16512 | Download | Predicted | Q16512_F1_nD5 | Protein kinase/SAICAR synthase/ATP-grasp |
1CXZ | Predicted | e1cxzB1 | ||
1URF | Predicted | e1urfA1 | ||
2RMK | Predicted | e2rmkB1 | ||
4NKG | Predicted | e4nkgB1 e4nkgD1 | ||
4OTD | Predicted | e4otdA1 | ||
4OTG | Predicted | e4otgA1 | ||
4OTH | Predicted | e4othA1 | ||
4OTI | Predicted | e4otiA1 |