Ligand name: 2-(ACETYLOXY)BENZOIC ACID
PDB ligand accession: AIN
DrugBank: DB00945
PubChem: 2244
ChEMBL: CHEMBL25
InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N
SMILES: CC(=O)Oc1ccccc1C(=O)O

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of proteins that are targets for AIN

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P23219_AIN	P23219	inhibitor	Ki(nM) = 1700.0 IC50(nM) = 350.0
2	P25963_AIN	P25963	inhibitor
3	P11021_AIN	P11021	inhibitor
4	P59071_AIN	P59071	n/a
5	P60045_AIN	P60045	n/a
6	O14920_AIN	O14920	n/a
7	P51812_AIN	P51812	inhibitor
8	P29466_AIN	P29466	inhibitor
9	Q99519_AIN	Q99519	inhibitor
10	P24627_AIN	P24627	n/a
11	P24385_AIN	P24385	downregulator
12	P12004_AIN	P12004	downregulator
13	Q9I834_AIN	Q9I834	n/a
14	P35354_AIN	P35354	inhibitor	Ki(nM) = 7500.0 IC50(nM) = 2400.0
15	P01106_AIN	P01106	downregulator
16	P98066_AIN	P98066	inhibitor
17	P80025_AIN	P80025	n/a
18	P25101_AIN	P25101	inhibitor
19	P04637_AIN	P04637	inducer
20	Q7YS85_AIN	Q7YS85	n/a
21	Q04828_AIN	Q04828	inhibitor
22	P42574_AIN	P42574	inhibitor
23	O15439_AIN	O15439	n/a	IC50(nM) = 133000.0