PDB ligand accession: YXG
DrugBank: DB16233
PubChem:
ChEMBL:
InChI Key: FSWFYCYPTDLKON-CMJOXMDJSA-N
SMILES: CC1CCCC(c2cc(ccn2)-c3c(cnn3C(F)F)NC1=O)N4C=NC(=CC4=O)c5cc(ccc5n6cc(nn6)Cl)Cl
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Macrolactams
- Subclass: None
- Class: Macrolactams
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7MBO | Download | Experimental | e7mboA1 | cradle loop barrel | LigPlot |