Reaction Details Report a problem with these data
Target
Amine oxidase
Ligand
BDBM178087
Substrate
n/a
Meas. Tech.
MAO Inhibition Assay
IC50
1.08e+4± 1.26e+3 nM
Citation
 Mostert, S; Petzer, A; Petzer, JP Evaluation of Natural and Synthetic 1,4-naphthoquinones as Inhibitors of Monoamine Oxidase. Chem Biol Drug Des 87:737-46 (2016) [PubMed]  Article 
Target
Name:
Amine oxidase
Synonyms:
Monoamine oxidase B (MAO-B)
Type:
Protein
Mol. Mass.:
58780.23
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
520
Sequence:
MSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDHVGGRTYTLRNQKVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHHVKGKSYPFRGPFPPVWNPITYLDHNNFWRTMDDMGREIQSDAPWKAPLAEEWDNMTMKELLDKLCWTESAKQLATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFVGGSGQVSERIMDLLGDRVKLERPVIYIDQTRENVLVETLNHEMYEAKYVISAIPPTLGMKIHFNPPLPMMRNQMITRVPLGSVIKCIVYYKEPFWRKKDYCGTMIIDGEEAPVAYTLDDTKPEGNYAAIMGFILAHKARKLARLTKEERLKKLCELYAKVLGSLEALEPVHYEEKNWCEEQYSGGCYTTYFPPGILTQYGRVLRQPVDRIYFAGTETATHWSGYMEGAVEAGERAAREILHAMGKIPEDEIWQSEPESVDVPAQPITTTFLERHLPSVPGLLRLIGLTTIFSATALGFLAHKRGLLVRV
  
Inhibitor
Name:
BDBM178087
Synonyms:
2-(chloromethyl)-3-methyl-1,4-dihydronaphthalene-1,4-dione (5f)
Type:
Small organic molecule
Emp. Form.:
C12H9ClO2
Mol. Mass.:
220.652
SMILES:
CC1=C(CCl)C(=O)c2ccccc2C1=O |c:1|
Structure:
Search PDB for entries with ligand similarity: