PDB ligand accession: 882
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: VZMMUQFHUUOVEM-KAYWLYCHSA-N
SMILES: CC(C)n1c(c(c(c1C(=O)Nc2ccccc2)c3ccc(cc3)F)c4ccc(cc4)F)CCC(CC(CC(=O)O)O)O
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 |
---|---|---|---|---|---|
3CD7 | Download | Experimental | e3cd7A1 e3cd7A2 e3cd7B2 e3cd7C1 e3cd7D2 e3cd7C2 e3cd7D1 e3cd7D2 | 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 |
2Q1L | Download | Experimental | e2q1lA1 e2q1lA2 e2q1lB2 e2q1lC1 e2q1lD2 e2q1lC2 e2q1lD1 e2q1lD2 | 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 |