PDB ligand accession: MIL
DrugBank: DB00235
PubChem: 4197;5281020;
ChEMBL:
InChI Key: PZRHRDRVRGEVNW-UHFFFAOYSA-N
SMILES: CC1=C(C=C(C(=O)N1)C#N)c2ccncc2
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Bipyridines and oligopyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1TLM | Download | Experimental | e1tlmA1 e1tlmB1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |