Reaction Details Report a problem with these data
Target
Alpha-ketoglutarate-dependent dioxygenase AlkB
Ligand
BDBM32021
Substrate
n/a
Meas. Tech.
ChEMBL_2269286
IC50
12700±n/a nM
Citation
 Perry, GS; Das, M; Woon, ECY Inhibition of AlkB Nucleic Acid Demethylases: Promising New Epigenetic Targets. J Med Chem 64:16974-17003 (2021) [PubMed] 
Target
Name:
Alpha-ketoglutarate-dependent dioxygenase AlkB
Synonyms:
1.14.11.33 | aidD | alkB | Alkylated DNA repair protein AlkB | Alpha-ketoglutarate-dependent dioxygenase AlkB | DNA oxidative demethylase AlkB
Type:
PROTEIN
Mol. Mass.:
24079.78
Organism:
Escherichia coli (strain K12)
Description:
ChEMBL_120873
Residue:
216
Sequence:
MLDLFADAEPWQEPLAAGAVILRRFAFNAAEQLIRDINDVASQSPFRQMVTPGGYTMSVAMTNCGHLGWTTHRQGYLYSPIDPQTNKPWPAMPQSFHNLCQRAATAAGYPDFQPDACLINRYAPGAKLSLHQDKDEPDLRAPIVSVSLGLPAIFQFGGLKRNDPLKRLLLEHGDVVVWGGESRLFYHGIQPLKAGFHPLTIDCRYNLTFRQAGKKE
  
Inhibitor
Name:
BDBM32021
Synonyms:
RHEIN | cid_10168 | SMR000058210 | MLS000069639 | 4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid | 4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid | 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid | 4,5-dihydroxy-9,10-diketo-anthracene-2-carboxylic acid | US9238626, Rhein | US20230364057, Compound 82
Type:
Small organic molecule
Emp. Form.:
C15H8O6
Mol. Mass.:
284.03
SMILES:
c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O
Structure:
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