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 |
|---|---|---|---|---|
| P07948 | Download | Predicted | P07948_F1_nD3 | Protein kinase/SAICAR synthase/ATP-grasp |
| 1W1F | Predicted | e1w1fA1 | ||
| 1WA7 | Predicted | e1wa7A1 | ||
| 3A4O | Predicted | e3a4oX1 | ||
| 5XY1 | Predicted | e5xy1A1 | ||
| 6NMW | Predicted | e6nmwA1 |