Reaction Details Report a problem with these data
Target
Amine oxidase [flavin-containing] B
Ligand
BDBM50264670
Substrate
n/a
Meas. Tech.
ChEMBL_535233 (CHEMBL991730)
Ki
36±n/a nM
Citation
 Pretorius, J; Malan, SF; Castagnoli, N; Bergh, JJ; Petzer, JP Dual inhibition of monoamine oxidase B and antagonism of the adenosine A(2A) receptor by (E,E)-8-(4-phenylbutadien-1-yl)caffeine analogues. Bioorg Med Chem 16:8676-84 (2008) [PubMed]  Article 
Target
Name:
Amine oxidase [flavin-containing] B
Synonyms:
AOFB_HUMAN | MAO-B | MAOB | Monoamine oxidase type B | Monoamine oxidase type B (MAO B) | Monoamine oxidase type B (MAO B) | Monoamine oxidase type B (MAOB)
Type:
Protein
Mol. Mass.:
58768.76
Organism:
Homo sapiens (Human)
Description:
P27338
Residue:
520
Sequence:
MSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQKVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHHVKGKSYPFRGPFPPVWNPITYLDHNNFWRTMDDMGREIPSDAPWKAPLAEEWDNMTMKELLDKLCWTESAKQLATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFVGGSGQVSERIMDLLGDRVKLERPVIYIDQTRENVLVETLNHEMYEAKYVISAIPPTLGMKIHFNPPLPMMRNQMITRVPLGSVIKCIVYYKEPFWRKKDYCGTMIIDGEEAPVAYTLDDTKPEGNYAAIMGFILAHKARKLARLTKEERLKKLCELYAKVLGSLEALEPVHYEEKNWCEEQYSGGCYTTYFPPGILTQYGRVLRQPVDRIYFAGTETATHWSGYMEGAVEAGERAAREILHAMGKIPEDEIWQSEPESVDVPAQPITTTFLERHLPSVPGLLRLIGLTTIFSATALGFLAHKRGLLVRV
  
Inhibitor
Name:
BDBM50264670
Synonyms:
(E)-8-(3,4-dichlorostyryl)-1,3,7-trimethyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione | CHEMBL522271
Type:
Small organic molecule
Emp. Form.:
C16H16Cl2N4O2
Mol. Mass.:
367.23
SMILES:
CN1C2C(N=C1C=Cc1ccc(Cl)c(Cl)c1)N(C)C(=O)N(C)C2=O |w:6.6,c:4|
Structure:
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