PDB ligand accession: FBI
DrugBank: DB01098
PubChem:
ChEMBL: n/a
InChI Key: ZVPAUNJUMAQCNK-IAGOWNOFSA-N
SMILES: CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)CCC(CC(CC(=O)O)O)O
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyrimidines and pyrimidine derivatives
- Class: Diazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1HWL | Download | Experimental | e1hwlA1 e1hwlB2 e1hwlA2 e1hwlB1 e1hwlB2 e1hwlA2 e1hwlC1 e1hwlD2 e1hwlC2 e1hwlD1 e1hwlD2 e1hwlC2 | Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits | LigPlot |