PDB ligand accession: 9HI
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: IYYNBGFAAGBIAX-KAYWLYCHSA-N
SMILES: CC(C)c1c(c(c(n1CCC(CC(CC(=O)O)O)O)c2ccc(cc2)F)c3ccc(cc3)F)S(=O)(=O)Nc4ccc(cc4)C(=O)N
Drug action: n/a
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 |
---|---|---|---|---|---|
3CDB | Download | Experimental | e3cdbA1 e3cdbA2 e3cdbB2 e3cdbC1 e3cdbC2 e3cdbD2 e3cdbC2 e3cdbD1 | 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 |