PDB ligand accession: AIN
DrugBank: DB00945
InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N
SMILES: CC(=O)Oc1ccccc1C(=O)O
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 |
|---|---|---|---|---|
| P29466 | Download | Predicted | P29466_F1_nD2 | Caspase-like |
| 1BMQ | Predicted | e1bmq.1 | ||
| 1IBC | Predicted | e1ibc.1 | ||
| 1ICE | Predicted | e1ice.1 | ||
| 1RWK | Predicted | e1rwk.1 | ||
| 1RWM | Predicted | e1rwm.1 | ||
| 1RWN | Predicted | e1rwn.1 | ||
| 1RWO | Predicted | e1rwo.1 | ||
| 1RWP | Predicted | e1rwp.1 | ||
| 1RWV | Predicted | e1rwv.1 | ||
| 1RWW | Predicted | e1rww.1 | ||
| 1RWX | Predicted | e1rwx.1 | ||
| 1SC1 | Predicted | e1sc1.1 | ||
| 1SC3 | Predicted | e1sc3.1 | ||
| 1SC4 | Predicted | e1sc4.1 | ||
| 2FQQ | Predicted | e2fqq.1 | ||
| 2H48 | Predicted | e2h48.1 | ||
| 2H4W | Predicted | e2h4w.1 | ||
| 2H4Y | Predicted | e2h4y.1 | ||
| 2H51 | Predicted | e2h51.1 | ||
| 2H54 | Predicted | e2h54.1 | ||
| 2HBQ | Predicted | e2hbq.1 | ||
| 2HBR | Predicted | e2hbr.1 | ||
| 2HBY | Predicted | e2hby.1 | ||
| 2HBZ | Predicted | e2hbz.1 | ||
| 3D6F | Predicted | e3d6f.1 | ||
| 3D6H | Predicted | e3d6h.1 | ||
| 3D6M | Predicted | e3d6m.1 | ||
| 3E4C | Predicted | e3e4cA1 e3e4cB1 | ||
| 3NS7 | Predicted | e3ns7.1 | ||
| 5FNA | Predicted | e5fnaA1 e5fnaB1 e5fnaC1 e5fnaD1 e5fnaE1 e5fnaF1 e5fnaG1 e5fnaH1 | ||
| 5MMV | Predicted | e5mmvA1 | ||
| 5MTK | Predicted | e5mtkA1 | ||
| 6BZ9 | Predicted | e6bz9A1 | ||
| 6F6R | Predicted | e6f6rA1 |