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Target
Amine oxidase [flavin-containing] A/B
Ligand
BDBM50523994
Substrate
n/a
Meas. Tech.
ChEMBL_1891584 (CHEMBL4393411)
IC50
1060±n/a nM
Citation
 Huang, C; Xiong, J; Guan, HD; Wang, CH; Lei, X; Hu, JF Discovery, synthesis, biological evaluation and molecular docking study of (R)-5-methylmellein and its analogs as selective monoamine oxidase A inhibitors. Bioorg Med Chem 27:2027-2040 (2019) [PubMed]  Article 
Target
Name:
Amine oxidase [flavin-containing] A/B
Synonyms:
Monoamine oxidase
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1891584
Components:
This complex has 2 components.
Component 1
Name:
Amine oxidase [flavin-containing] B
Synonyms:
AOFB_MOUSE | Amine oxidase [flavin-containing] B | MAO-B | Maob | Monoamine Oxidase Type B (MAO-B) | Monoamine oxidase | Monoamine oxidase type B
Type:
PROTEIN
Mol. Mass.:
58568.67
Organism:
Mus musculus
Description:
ChEMBL_605809
Residue:
520
Sequence:
MSNKSDVIVVGGGISGMAAAKLLHDCGLSVVVLEARDRVGGRTYTIRNKNVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHFVKGKSYAFRGPFPPVWNPITYLDNNNLWRTMDEMGQEIPSDAPWKAPLAEEWDYMTMKELLDKICWTKSTKQIATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFIGGSGQVSERIKDILGDRVKLERPVIHIDQTGENVIVKTLNHEIYEAKYVISAIPPALGMKIHYSPPLPMLRNQLISRVPLGSVIKCMVYYKEPFWRKKDFCGTMVIEGEEAPIAYTLDDTKPDGTYAAIMGFILAHKARKLVRLTKEERLRKLCELYAKVLNSQEALQPVHYEEKNWCEEQYSGGCYTTYFPPGILTQYGRVLRQPVGKIFFAGTETASHWSGYMEGAVEAGERAAREILHAIGKIPEDEIWQPEPESLDVPARPITSTFLERHLPSVPGLLKLFGLTTILSATALGFLAHKRGLFVHF
  
Component 2
Name:
Amine oxidase [flavin-containing] A
Synonyms:
AOFA_MOUSE | Amine oxidase [flavin-containing] A | MAO-A | Maoa | Monoamine oxidase | Monoamine oxidase A | Monoamine oxidase type A
Type:
PROTEIN
Mol. Mass.:
59608.24
Organism:
Mus musculus
Description:
ChEMBL_122776
Residue:
526
Sequence:
MTDLEKPSITGHMFDVVVIGGGISGLAAAKLLSEYKINVLVLEARDRVGGRTYTVRNEHVKWVDVGGAYVGPTQNRILRLSKELGIETYKVNVNERLVQYVKGKTYPFRGAFPPVWNPLAYLDYNNLWRTMDDMGKEIPVDAPWQARHAEEWDKITMKDLIDKICWTKTAREFAYLFVNINVTSEPHEVSALWFLWYVRQCGGTSRIFSVTNGGQERKFVGGSGQISEQIMVLLGDKVKLSSPVTYIDQTDDNIIIETLNHEHYECKYVISAIPPVLTAKIHFKPELPPERNQLIQRLPMGAVIKCMVYYKEAFWKKKDYCGCMIIEDEEAPISITLDDTKPDGSMPAIMGFILARKAERLAKLHKDIRKRKICELYAKVLGSQEALSPVHYEEKNWCEEQYSGGCYTAYFPPGIMTLYGRVIRQPVGRIYFAGTETATQWSGYMEGAVEAGERAAREVLNALGKVAKKDIWVQEPESKDVPALEITHTFLERNLPSVPGLLKITGFSTSVALLCFVLYKFKQPQS
  
Inhibitor
Name:
BDBM50523994
Synonyms:
CHEMBL461985
Type:
Small organic molecule
Emp. Form.:
C11H12O3
Mol. Mass.:
192.2112
SMILES:
C[C@@H]1Cc2c(C)ccc(O)c2C(=O)O1 |r|
Structure:
Search PDB for entries with ligand similarity: