PDB ligand accession: 1N1
DrugBank: DB01254
InChI Key: ZBNZXTGUTAYRHI-UHFFFAOYSA-N
SMILES: Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Anilides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P54756 | Download | Predicted | P54756_F1_nD6 | Protein kinase/SAICAR synthase/ATP-grasp |
2R2P | Predicted | e2r2pA1 | ||
4ET7 | Predicted | e4et7A1 |