PDB ligand accession: C1D
DrugBank: DB07515
PubChem: 131704304;135908255;
ChEMBL: n/a
InChI Key: MQHPMJMCBRFLML-GGZDVPIDSA-N
SMILES: CC1C(CCC(N1)N)CNCCN2C(C(=NC=C2Cl)NCC(c3ccccn3)(F)F)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyrazines
- Class: Diazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2BXU | Download | Experimental | e2bxu.1 | cradle loop barrel | LigPlot |