PDB ligand accession: I6H
DrugBank: DB14063
InChI Key: SGTNSNPWRIOYBX-HHHXNRCGSA-N
SMILES: CC(C)C(CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenylbutylamines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P08183 | Download | Predicted | P08183_F1_nD1 P08183_F1_nD2 | P-loop domains-like Type II ABC exporter transmembrane domain fold |
6C0V | Predicted | e6c0vA3 e6c0vA4 e6c0vA1 e6c0vA2 | ||
6FN1 | Predicted | e6fn1A1 e6fn1A4 e6fn1A2 e6fn1A3 | ||
6FN4 | Predicted | e6fn4A2 e6fn4A4 e6fn4A1 e6fn4A3 | ||
6QEX | Predicted | e6qexA1 e6qexA3 e6qexA4 e6qexA2 |