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Target
Amine oxidase [flavin-containing] B
Ligand
BDBM50299451
Substrate
n/a
Meas. Tech.
ChEMBL_1440356 (CHEMBL3385618)
IC50
30±n/a nM
Citation
 Pisani, L; Farina, R; Nicolotti, O; Gadaleta, D; Soto-Otero, R; Catto, M; Di Braccio, M; Mendez-Alvarez, E; Carotti, A In silico design of novel 2H-chromen-2-one derivatives as potent and selective MAO-B inhibitors. Eur J Med Chem 89:98-105 (2014) [PubMed]  Article
Target
Name:
Amine oxidase [flavin-containing] B
Synonyms:
AOFB_RAT | Amine oxidase (flavin-containing) B | Amine oxidase [flavin-containing] B | Maob | Monoamine Oxidase Type B (MAO-B) | Monoamine oxidase | Monoamine oxidase B (MAO-B) | Monoamine oxidase B (rMAO-B) | Monoamine oxidase type B (MAOB) | Monoamine oxidase-B (MAO-B)
Type:
Enzyme
Mol. Mass.:
58469.65
Organism:
Rattus norvegicus (rat)
Description:
P19643
Residue:
520
Sequence:
MSNKCDVIVVGGGISGMAAAKLLHDCGLSVVVLEARDRVGGRTYTIRNKNVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHFVKGKSYAFRGPFPPVWNPITYLDYNNLWRTMDEMGQEIPSDAPWKAPLAEEWDYMTMKELLDKICWTNSTKQIATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFIGGSGQVSERIKDILGDRVKLERPVIHIDQTGENVVVKTLNHEIYEAKYVISAIPPVLGMKIHHSPPLPILRNQLITRVPLGSVIKCMVYYKEPFWRKKDFCGTMVIEGEEAPIAYTLDDTKPDGSCAAIMGFILAHKARKLVRLTKEERLRKLCELYAKVLNSQEALQPVHYEEKNWCEEQYSGGCYTAYFPPGILTQYGRVLRQPVGKIFFAGTETASHWSGYMEGAVEAGERAAREILHAIGKIPEDEIWQPEPESVDVPARPITNTFLERHLPSVPGLLKLLGLTTILSATALGFLAHKKGLFVRF
  
Inhibitor
Name:
BDBM50299451
Synonyms:
2-{7-[(3-Chlorobenzyl)oxy]-2-oxo-2H-chromen-4-yl}acetamide | CHEMBL575738
Type:
Small organic molecule
Emp. Form.:
C18H14ClNO4
Mol. Mass.:
343.761
SMILES:
NC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Structure:
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