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 |
---|---|---|---|---|
Q13188 | Download | Predicted | Q13188_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
3WWS | Predicted | e3wwsD1 e3wwsC1 e3wwsB1 e3wwsA1 | ||
4HKD | Predicted | e4hkdA1 e4hkdB1 e4hkdC1 e4hkdD1 | ||
4L0N | Predicted | e4l0nA1 e4l0nB1 e4l0nC1 e4l0nD1 e4l0nE1 e4l0nF1 e4l0nG1 e4l0nH1 e4l0nI1 e4l0nJ1 | ||
4LG4 | Predicted | e4lg4E1 e4lg4A1 e4lg4B1 e4lg4C1 e4lg4D1 e4lg4F1 | ||
4LGD | Predicted | e4lgdA1 e4lgdC1 e4lgdD1 e4lgdB1 | ||
4OH9 | Predicted | e4oh9B1 e4oh9A1 | ||
5DH3 | Predicted | e5dh3A1 e5dh3B1 | ||
6AO5 | Predicted | e6ao5A1 |