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 |
---|---|---|---|---|
Q08345 | Download | Predicted | Q08345_F1_nD2 Q08345_F1_nD1 Q08345_F1_nD4 | jelly-roll jelly-roll Protein kinase/SAICAR synthase/ATP-grasp |
3ZOS | Predicted | e3zosB1 e3zosA2 | ||
4AG4 | Predicted | e4ag4A3 e4ag4A4 | ||
4BKJ | Predicted | e4bkjB1 e4bkjA2 | ||
4CKR | Predicted | e4ckrA1 | ||
5BVK | Predicted | e5bvkA1 | ||
5BVN | Predicted | e5bvnA1 | ||
5BVO | Predicted | e5bvoA1 | ||
5BVW | Predicted | e5bvwA1 | ||
5FDP | Predicted | e5fdpA1 | ||
5FDX | Predicted | e5fdxA1 e5fdxB1 | ||
6BRJ | Predicted | e6brjA1 | ||
6BSD | Predicted | e6bsdA1 | ||
6FEW | Predicted | e6fewA1 | ||
6FEX | Predicted | e6fexA1 | ||
6FIL | Predicted | e6filA1 | ||
6FIN | Predicted | e6finA1 | ||
6FIO | Predicted | e6fioA1 | ||
6FIQ | Predicted | e6fiqA1 | ||
6GWR | Predicted | e6gwrA1 e6gwrB1 | ||
6HP9 | Predicted | e6hp9A1 e6hp9B1 |