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Target
Amine oxidase [flavin-containing] B [I199F]
Ligand
BDBM11018
Substrate
BDBM10999
Meas. Tech.
MAO Inhibition Assay
Ki
>1000000±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:
BDBM11018
Synonyms:
2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4,6-dione | 8-(3-chlorostyryl)caffeine (CSC)
Type:
Small organic molecule
Emp. Form.:
C17H16ClN3O2
Mol. Mass.:
329.781
SMILES:
CC1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2C(=O)N(C)C1=O
Structure:
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Substrate
Name:
BDBM10999
Synonyms:
Benzenemethanamine | Bn-NH2 | CHEMBL522 | benzylamine | phenylmethanamine
Type:
Small organic molecule
Emp. Form.:
C7H9N
Mol. Mass.:
107.1531
SMILES:
NCc1ccccc1
Structure:
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