PDB ligand accession: K4I
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: PMXMIIMHBWHSKN-LJQANCHMSA-N
SMILES: CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)c4c5ccc(cc5on4)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridopyrimidines
- Subclass: None
- Class: Pyridopyrimidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
8GSQ | Download | Experimental | e8gsqC1 e8gsqH1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |