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 |
---|---|---|---|---|
P41240 | Download | Predicted | P41240_F1_nD3 | Protein kinase/SAICAR synthase/ATP-grasp |
1BYG | Predicted | e1bygA1 | ||
1CSK | Predicted | e1cskD1 e1cskC1 e1cskB1 e1cskA1 | ||
3D7T | Predicted | e3d7tA1 | ||
3D7U | Predicted | e3d7uA1 e3d7uC1 | ||
3EAZ | Predicted | e3eazA1 |