PDB ligand accession: MTK
DrugBank: DB00471
PubChem:
ChEMBL:
InChI Key: UCHDWCPVSPXUMX-TZIWLTJVSA-N
SMILES: CC(C)(c1ccccc1CCC(c2cccc(c2)C=Cc3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Linear 1,3-diarylpropanoids
- Subclass: None
- Class: Linear 1,3-diarylpropanoids
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2NNI | Download | Experimental | e2nniA1 | Cytochrome P450 | LigPlot |