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 |
---|---|---|---|---|
O15264 | Download | Predicted | O15264_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
3COI | Predicted | e3coiA1 | ||
4EYJ | Predicted | e4eyjA2 | ||
4EYM | Predicted | e4eymA2 | ||
4MYG | Predicted | e4mygA1 e4mygB1 | ||
4YNO | Predicted | e4ynoA1 | ||
5EKN | Predicted | e5eknA1 | ||
5EKO | Predicted | e5ekoA1 |