PDB ligand accession: 7IG
DrugBank: DB07244
PubChem:
ChEMBL:
InChI Key: SRRWXMSVQYQCRX-UHFFFAOYSA-N
SMILES: CCc1c(c(nc(n1)N)N)c2ccc(cc2)NCc3cc(cc(c3)F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenylmethylamines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2G24 | Download | Experimental | e2g24A2 e2g24A3 | cradle loop barrel cradle loop barrel | LigPlot |
2IKO | Download | Experimental | e2ikoA2 e2ikoA3 | cradle loop barrel cradle loop barrel | LigPlot |