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 |
---|---|---|---|---|
P12268 | Download | Predicted | P12268_F1_nD2 | TIM beta/alpha-barrel |
1B3O | Predicted | e1b3oB1 e1b3oB2 e1b3oA1 | ||
1NF7 | Predicted | e1nf7A3 e1nf7B3 e1nf7B4 e1nf7A2 | ||
1NFB | Predicted | e1nfbA2 e1nfbB2 e1nfbA3 e1nfbB3 | ||
6I0M | Predicted | e6i0mA1 e6i0mB2 e6i0mA2 e6i0mB1 | ||
6I0O | Predicted | e6i0oA1 e6i0oB2 e6i0oA2 e6i0oB1 |