Medvedev Lab DrugDomain Protein List Small Molecules Download GitHub
Ligand name: ACETOACETYL-COENZYME A
PDB ligand accession: CAA
DrugBank: DB03059
PubChem: 92153
ChEMBL: n/a
InChI Key: OJFDKHTZOUZBOS-CITAKDKDSA-N
SMILES: CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O

ClassyFire chemical classification:

List of proteins that are targets for DB03059

# DrugDomain Data UniProt Accession Protein name Drug Action Affinity data
1 Q96329_CAA Q96329 Acyl-coenzyme A oxidase n/a
2 P64016_CAA P64016 Probable enoyl-CoA hydratase n/a
3 E9AW84_CAA E9AW84 propanoyl-CoA C-acyltransferase (EC n/a
4 P30084_CAA P30084 Enoyl-CoA hydratase, mitochondrial n/a
5 Q0KEY8_CAA Q0KEY8 3-Hydroxyacyl-CoA dehydrogenase (EC n/a
6 Q16836_CAA Q16836 Hydroxyacyl-coenzyme A dehydrogenase, n/a
7 Q5HH38_CAA Q5HH38 1,4-dihydroxy-2-naphthoyl-CoA synthase (DHNA-CoA n/a
8 O06414_CAA O06414 1,4-dihydroxy-2-naphthoyl-CoA synthase (DHNA-CoA n/a
9 A6CQL2_CAA A6CQL2 deleted n/a
10 P15651_CAA P15651 Short-chain specific acyl-CoA n/a
11 Q1D4I1_CAA Q1D4I1 Hydroxymethylglutaryl-CoA synthase (EC n/a
12 O06543_CAA O06543 Alpha-methylacyl-CoA racemase (AMACR) n/a
13 P14697_CAA P14697 Acetoacetyl-CoA reductase (EC n/a
14 P16219_CAA P16219 Short-chain specific acyl-CoA n/a
15 Q06319_CAA Q06319 Acyl-CoA dehydrogenase, short-chain n/a
16 P14604_CAA P14604 Enoyl-CoA hydratase, mitochondrial n/a
17 Q47NQ8_CAA Q47NQ8 Enoyl-CoA hydratase (EC n/a
18 C9ZUV7_CAA C9ZUV7 Nonspecific lipid-transfer protein, n/a
19 C4IEM5_CAA C4IEM5 3-hydroxybutyryl-CoA dehydrogenase (EC n/a
20 Q79ZY6_CAA Q79ZY6 deleted n/a
21 P07896_CAA P07896 Peroxisomal bifunctional enzyme n/a
22 Q05871_CAA Q05871 3,2-trans-enoyl-CoA isomerase (EC n/a
23 P96907_CAA P96907 Enoyl-CoA hydratase (EC n/a
24 P48391_CAA P48391 2-pyrone synthase (2-PS) n/a
25 Q9FD87_CAA Q9FD87 HMG-CoA synthase n/a
26 P07097_CAA P07097 Acetyl-CoA acetyltransferase (EC n/a