Ligand name: 3-methylbenzonitrile
PDB ligand accession: 2HT
DrugBank: n/a
PubChem: 12104
ChEMBL: CHEMBL1229944
InChI Key: BOHCMQZJWOGWTA-UHFFFAOYSA-N
SMILES: Cc1cccc(c1)C#N
Drug action: n/a

ClassyFire chemical classification:

List of PDB structures and/or AlphaFold models with target protein P49841

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
3F88 Download Experimental e3f88A1
e3f88B1
Protein kinase/SAICAR synthase/ATP-grasp
Protein kinase/SAICAR synthase/ATP-grasp
LigPlot