PDB ligand accession: MOA
DrugBank: DB01024
InChI Key: HPNSFSBZBAHARI-RUDMXATFSA-N
SMILES: Cc1c2c(c(c(c1OC)CC=C(C)CCC(=O)O)O)C(=O)OC2
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Isocoumarans
- Subclass: Isobenzofuranones
- Class: Isocoumarans
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P20839 | Download | Predicted | P20839_F1_nD2 | TIM beta/alpha-barrel |
1JCN | Predicted | e1jcnA1 e1jcnB1 e1jcnA2 e1jcnB2 |