Reaction Details Report a problem with these data
Target
Amine oxidase [flavin-containing] B [I199F]
Ligand
BDBM10989
Substrate
BDBM10999
Meas. Tech.
MAO Inhibition Assay
Ki
500±n/a nM
Citation
 Hubalek, F; Binda, C; Khalil, A; Li, M; Mattevi, A; Castagnoli, N; Edmondson, DE Demonstration of isoleucine 199 as a structural determinant for the selective inhibition of human monoamine oxidase B by specific reversible inhibitors. J Biol Chem 280:15761-6 (2005) [PubMed]  Article 
Target
Name:
Amine oxidase [flavin-containing] B [I199F]
Synonyms:
AOFB_HUMAN | Amine oxidase (flavin-containing) B | MAOB | Monoamine Oxidase Type B (MAO-B) Mutant (I199F)
Type:
Enzyme
Mol. Mass.:
58802.78
Organism:
Homo sapiens (Human)
Description:
Human recombinant MAO B were expressed and purified from Pichia pastoris.
Residue:
520
Sequence:
MSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQKVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHHVKGKSYPFRGPFPPVWNPITYLDHNNFWRTMDDMGREIPSDAPWKAPLAEEWDNMTMKELLDKLCWTESAKQLATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIFSTTNGGQERKFVGGSGQVSERIMDLLGDRVKLERPVIYIDQTRENVLVETLNHEMYEAKYVISAIPPTLGMKIHFNPPLPMMRNQMITRVPLGSVIKCIVYYKEPFWRKKDYCGTMIIDGEEAPVAYTLDDTKPEGNYAAIMGFILAHKARKLARLTKEERLKKLCELYAKVLGSLEALEPVHYEEKNWCEEQYSGGCYTTYFPPGILTQYGRVLRQPVDRIYFAGTETATHWSGYMEGAVEAGERAAREILHAMGKIPEDEIWQSEPESVDVPAQPITTTFLERHLPSVPGLLRLIGLTTIFSATALGFLAHKRGLLVRV
  
Inhibitor
Name:
BDBM10989
Synonyms:
(1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine | CHEMBL887 | Rasagiline | US9034303, Rasagiline
Type:
Small organic molecule
Emp. Form.:
C12H13N
Mol. Mass.:
171.2383
SMILES:
C#CCN[C@@H]1CCc2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM10999
Synonyms:
Benzenemethanamine | Bn-NH2 | CHEMBL522 | benzylamine | phenylmethanamine
Type:
Small organic molecule
Emp. Form.:
C7H9N
Mol. Mass.:
107.1531
SMILES:
NCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: