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: binder
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 |
---|---|---|---|---|
Q9NYL2 | Download | Predicted | Q9NYL2_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
5HES | Predicted | e5hesA1 e5hesB1 | ||
5X5O | Predicted | e5x5oA1 | ||
6JUT | Predicted | e6jutA1 |