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 |
---|---|---|---|---|
P07332 | Download | Predicted | P07332_F1_nD1 P07332_F1_nD4 P07332_F1_nD3 | BAR/IMD domain-like Protein kinase/SAICAR synthase/ATP-grasp SH2 |
1WQU | Predicted | e1wquA1 | ||
2DCR | Predicted | e2dcrA1 | ||
3BKB | Predicted | e3bkbA2 e3bkbA1 | ||
3CBL | Predicted | e3cblA3 e3cblA1 | ||
3CD3 | Predicted | e3cd3A3 e3cd3A1 | ||
4DYL | Predicted | e4dylA1 | ||
4E93 | Predicted | e4e93A2 e4e93A1 | ||
6JMF | Predicted | e6jmfA1 e6jmfA2 |