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 |
---|---|---|---|---|
Q9P0L2 | Download | Predicted | Q9P0L2_F1_nD1 Q9P0L2_F1_nD2 | Protein kinase/SAICAR synthase/ATP-grasp TBP-like |
2HAK | Predicted | e2hakE2 e2hakC2 e2hakH2 e2hakB2 e2hakD2 e2hakF3 e2hakA1 e2hakG1 e2hakE1 e2hakH1 e2hakC1 e2hakD1 e2hakB1 e2hakF2 e2hakA2 e2hakG2 | ||
3OSE | Predicted | e3oseA1 |