PDB ligand accession: 117
DrugBank: DB01076
PubChem:
ChEMBL:
InChI Key: XUKUURHRXDUEBC-KAYWLYCHSA-N
SMILES: CC(C)c1c(c(c(n1CCC(CC(CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyrroles
- Subclass: Substituted pyrroles
- Class: Pyrroles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1HWK | Download | Experimental | e1hwkA1 e1hwkB2 e1hwkA2 e1hwkB1 e1hwkB2 e1hwkA2 e1hwkC1 e1hwkD2 e1hwkD1 e1hwkC2 | 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 |