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Target
Amine oxidase [flavin-containing] A
Ligand
BDBM15581
Substrate
n/a
Meas. Tech.
ChEMBL_2051210 (CHEMBL4705909)
IC50
1.6±n/a nM
Citation
 Jin, CF; Wang, ZZ; Chen, KZ; Xu, TF; Hao, GF Computational Fragment-Based Design Facilitates Discovery of Potent and Selective Monoamine Oxidase-B (MAO-B) Inhibitor. J Med Chem 63:15021-15036 (2020) [PubMed]  Article 
Target
Name:
Amine oxidase [flavin-containing] A
Synonyms:
MAO-A | Monoamine oxidase | Monoamine oxidase type A | Monoamine oxidase type A (MAO A) | Monoamine oxidase type A (MAO A) | Monoamine oxidase type A (MAOA) | Amine oxidase (flavin-containing) A | AOFA_HUMAN | MAOA
Type:
Protein
Mol. Mass.:
59689.53
Organism:
Human
Description:
P21397
Residue:
527
Sequence:
MENQEKASIAGHMFDVVVIGGGISGLSAAKLLTEYGVSVLVLEARDRVGGRTYTIRNEHVDYVDVGGAYVGPTQNRILRLSKELGIETYKVNVSERLVQYVKGKTYPFRGAFPPVWNPIAYLDYNNLWRTIDNMGKEIPTDAPWEAQHADKWDKMTMKELIDKICWTKTARRFAYLFVNINVTSEPHEVSALWFLWYVKQCGGTTRIFSVTNGGQERKFVGGSGQVSERIMDLLGDQVKLNHPVTHVDQSSDNIIIETLNHEHYECKYVINAIPPTLTAKIHFRPELPAERNQLIQRLPMGAVIKCMMYYKEAFWKKKDYCGCMIIEDEDAPISITLDDTKPDGSLPAIMGFILARKADRLAKLHKEIRKKKICELYAKVLGSQEALHPVHYEEKNWCEEQYSGGCYTAYFPPGIMTQYGRVIRQPVGRIFFAGTETATKWSGYMEGAVEAGERAAREVLNGLGKVTEKDIWVQEPESKDVPAVEITHTFWERNLPSVSGLLKIIGFSTSVTALGFVLYKYKLLPRS
  
Inhibitor
Name:
BDBM15581
Synonyms:
US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)propyl](methyl)prop-2-yn-1-ylamine | CHEMBL8706 | CLG | CLORGILINE | N-[3-(2,4-dichlorophenoxy)propyl]-N-methyl-prop-2-yn-1-amine | Clorgyline | US9603833, Clorgyline
Type:
Small organic molecule
Emp. Form.:
C13H15Cl2NO
Mol. Mass.:
271.05
SMILES:
C[N@](CCCOc1ccc(cc1Cl)Cl)CC#C
Structure:
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