Reaction Details Report a problem with these data
Target
Amine oxidase [flavin-containing] B
Ligand
BDBM50402335
Substrate
n/a
Meas. Tech.
ChEMBL_885769 (CHEMBL2213280)
IC50
19±n/a nM
Citation
 Mostert, S; Mentz, W; Petzer, A; Bergh, JJ; Petzer, JP Inhibition of monoamine oxidase by 8-[(phenylethyl)sulfanyl]caffeine analogues. Bioorg Med Chem 20:7040-50 (2012) [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:
BDBM50402335
Synonyms:
CHEMBL2206108
Type:
Small organic molecule
Emp. Form.:
C16H17BrN4O2S
Mol. Mass.:
409.301
SMILES:
Cn1c(SCCc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Structure:
Search PDB for entries with ligand similarity: