Reaction Details Report a problem with these data
Target
DNA-3-methyladenine glycosylase
Ligand
BDBM67690
Substrate
n/a
Meas. Tech.
ChEMBL_1463504 (CHEMBL3398686)
IC50
2500±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:
BDBM67690
Synonyms:
1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis(oxidanyl)anthracene-9,10-dione;hydrochloride | 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]-9,10-anthraquinone;hydrochloride | 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;hydrochloride | DHAD | MITOXANTRONE | MITOXANTRONE DIHYDROCHLORIDE | MLS001333711 | SMR000058480 | cid_4212 | cid_5458171
Type:
Small organic molecule
Emp. Form.:
C22H28N4O6
Mol. Mass.:
444.4809
SMILES:
OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
Structure:
Search PDB for entries with ligand similarity: