PDB ligand accession: 7RF
DrugBank: DB12598
InChI Key: MQQNFDZXWVTQEH-UHFFFAOYSA-N
SMILES: c1cc(ccc1C(=O)Oc2ccc3cc(ccc3c2)C(=N)N)NC(=N)N
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P00748 | Download | Predicted | P00748_F1_nD5 P00748_F1_nD6 | Kringle-like cradle loop barrel |
4BDW | Predicted | e4bdwA1 e4bdwA2 | ||
4BDX | Predicted | e4bdxA1 e4bdxA2 | ||
4XDE | Predicted | e4xdeA1 | ||
4XE4 | Predicted | e4xe4A1 | ||
6B74 | Predicted | e6b74B1 | ||
6B77 | Predicted | e6b77B1 | ||
6GT6 | Predicted | e6gt6B1 | ||
6QF7 | Predicted | e6qf7B1 e6qf7D1 |