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 DB00945

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	P23219_AIN	P23219	Prostaglandin G/H synthase	inhibitor	Ki(nM) = 1700.0 IC50(nM) = 350.0
2	P25963_AIN	P25963	NF-kappa-B inhibitor alpha	inhibitor
3	P11021_AIN	P11021	Endoplasmic reticulum chaperone	inhibitor
4	P59071_AIN	P59071	Basic phospholipase A2	n/a
5	P60045_AIN	P60045	Acidic phospholipase A2	n/a
6	O14920_AIN	O14920	Inhibitor of nuclear	n/a
7	P51812_AIN	P51812	Ribosomal protein S6	inhibitor
8	P29466_AIN	P29466	Caspase-1 (CASP-1) (EC	inhibitor
9	Q99519_AIN	Q99519	Sialidase-1 (EC 3.2.1.18)	inhibitor
10	P24627_AIN	P24627	Lactotransferrin (Lactoferrin) (EC	n/a
11	P24385_AIN	P24385	G1/S-specific cyclin-D1 (B-cell	downregulator
12	P12004_AIN	P12004	Proliferating cell nuclear	downregulator
13	Q9I834_AIN	Q9I834	Basic phospholipase A2	n/a
14	P35354_AIN	P35354	Prostaglandin G/H synthase	inhibitor	Ki(nM) = 7500.0 IC50(nM) = 2400.0
15	P01106_AIN	P01106	Myc proto-oncogene protein	downregulator
16	P98066_AIN	P98066	Tumor necrosis factor-inducible	inhibitor
17	P80025_AIN	P80025	Lactoperoxidase (LPO) (EC	n/a
18	P25101_AIN	P25101	Endothelin-1 receptor (Endothelin	inhibitor
19	P04637_AIN	P04637	Cellular tumor antigen	inducer
20	Q7YS85_AIN	Q7YS85	Chitinase-3-like protein 1	n/a
21	Q04828_AIN	Q04828	Aldo-keto reductase family	inhibitor
22	P42574_AIN	P42574	Caspase-3 (CASP-3) (EC	inhibitor
23	O15439_AIN	O15439	ATP-binding cassette sub-family	n/a	IC50(nM) = 133000.0