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 |
---|---|---|---|---|
P53667 | Download | Predicted | P53667_F1_nD6 | Protein kinase/SAICAR synthase/ATP-grasp |
3S95 | Predicted | e3s95A2 e3s95B2 | ||
5HVJ | Predicted | e5hvjA1 e5hvjB1 | ||
5HVK | Predicted | e5hvkA1 e5hvkC1 | ||
5L6W | Predicted | e5l6wL1 | ||
5NXC | Predicted | e5nxcL1 |