Reaction Details Report a problem with these data
Target
DNA-3-methyladenine glycosylase
Ligand
BDBM60996
Substrate
n/a
Meas. Tech.
ChEMBL_1463504 (CHEMBL3398686)
IC50
200±n/a nM
Citation
 Dixon, M; Woodrick, J; Gupta, S; Karmahapatra, SK; Devito, S; Vasudevan, S; Dakshanamurthy, S; Adhikari, S; Yenugonda, VM; Roy, R Naturally occurring polyphenol, morin hydrate, inhibits enzymatic activity of N-methylpurine DNA glycosylase, a DNA repair enzyme with various roles in human disease. Bioorg Med Chem 23:1102-11 (2015) [PubMed]  Article 
Target
Name:
DNA-3-methyladenine glycosylase
Synonyms:
3-alkyladenine DNA glycosylase | 3-methyladenine DNA glycosidase | 3MG_HUMAN | AAG | ADPG | ANPG | MID1 | MPG | N-methylpurine-DNA glycosylase
Type:
PROTEIN
Mol. Mass.:
32883.92
Organism:
Homo sapiens (Human)
Description:
ChEMBL_109564
Residue:
298
Sequence:
MVTPALQMKKPKQFCRRMGQKKQRPARAGQPHSSSDAAQAPAEQPHSSSDAAQAPCPRERCLGPPTTPGPYRSIYFSSPKGHLTRLGLEFFDQPAVPLARAFLGQVLVRRLPNGTELRGRIVETEAYLGPEDEAAHSRGGRQTPRNRGMFMKPGTLYVYIIYGMYFCMNISSQGDGACVLLRALEPLEGLETMRQLRSTLRKGTASRVLKDRELCSGPSKLCQALAINKSFDQRDLAQDEAVWLERGPLEPSEPAVVAAARVGVGHAGEWARKPLRFYVRGSPWVSVVDRVAEQDTQA
  
Inhibitor
Name:
BDBM60996
Synonyms:
5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-benzoic acid | 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-hydroxybenzoic acid | 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid | 5-[(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid | Aurintricarboxylic acid | MLS002153482 | SMR000326731 | cid_2259
Type:
Small organic molecule
Emp. Form.:
C22H14O9
Mol. Mass.:
422.3412
SMILES:
[#8]-[#6](=O)-[#6]-1=[#6]\[#6](-[#6]=[#6]-[#6]-1=O)=[#6](\c1ccc(-[#8])c(c1)-[#6](-[#8])=O)-c1ccc(-[#8])c(c1)-[#6](-[#8])=O |c:6,t:3|
Structure:
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