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 |
---|---|---|---|---|
Q13131 | Download | Predicted | Q13131_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
4RED | Predicted | e4redB1 e4redA1 | ||
4RER | Predicted | e4rerA2 e4rerA1 | ||
4REW | Predicted | e4rewA2 e4rewA1 | ||
5EZV | Predicted | e5ezvA2 | ||
6C9F | Predicted | e6c9fA1 e6c9fA2 | ||
6C9G | Predicted | e6c9gA2 e6c9gA1 | ||
6C9H | Predicted | e6c9hA2 e6c9hA1 | ||
6C9J | Predicted | e6c9jA2 e6c9jA1 |