PDB ligand accession: DN0
DrugBank: DB06137
InChI Key: HUNGUWOZPQBXGX-UHFFFAOYSA-N
SMILES: c1ccc(cc1)CNC(=O)Cc2ccc(cn2)c3ccc(cc3)OCCN4CCOCC4
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Phenylpyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P07437 | Download | Predicted | P07437_F1_nD1 P07437_F1_nD2 | Rossmann-like Bacillus chorismate mutase-like |
5N5N | Predicted | e5n5nB1 e5n5nA2 e5n5nC1 e5n5nD1 e5n5nE1 e5n5nF1 e5n5nB2 e5n5nA1 e5n5nC2 e5n5nD2 e5n5nE2 e5n5nF2 | ||
6I2I | Predicted | e6i2iB2 e6i2iB1 | ||
6QUS | Predicted | e6qusU1 e6qusS2 e6qusU2 e6qusS1 | ||
6QUY | Predicted | e6quyH2 e6quyG1 e6quyH1 e6quyG2 | ||
6QVJ | Predicted | e6qvjS1 e6qvjU1 e6qvjS2 e6qvjU2 |