Reaction Details Report a problem with these data
Target
Amine oxidase [flavin-containing] A
Ligand
BDBM50110725
Substrate
n/a
Meas. Tech.
ChEMBL_1811411 (CHEMBL4310871)
IC50
3920±n/a nM
Citation
 Shetnev, A; Osipyan, A; Baykov, S; Sapegin, A; Chirkova, Z; Korsakov, M; Petzer, A; Engelbrecht, I; Petzer, JP Novel monoamine oxidase inhibitors based on the privileged 2-imidazoline molecular framework. Bioorg Med Chem Lett 29:40-46 (2019) [PubMed]  Article 
Target
Name:
Amine oxidase [flavin-containing] A
Synonyms:
AOFA_HUMAN | Amine oxidase (flavin-containing) A | MAO-A | MAOA | Monoamine oxidase | Monoamine oxidase type A | Monoamine oxidase type A (MAO A) | Monoamine oxidase type A (MAO A) | Monoamine oxidase type A (MAOA)
Type:
Protein
Mol. Mass.:
59689.53
Organism:
Homo sapiens (Human)
Description:
P21397
Residue:
527
Sequence:
MENQEKASIAGHMFDVVVIGGGISGLSAAKLLTEYGVSVLVLEARDRVGGRTYTIRNEHVDYVDVGGAYVGPTQNRILRLSKELGIETYKVNVSERLVQYVKGKTYPFRGAFPPVWNPIAYLDYNNLWRTIDNMGKEIPTDAPWEAQHADKWDKMTMKELIDKICWTKTARRFAYLFVNINVTSEPHEVSALWFLWYVKQCGGTTRIFSVTNGGQERKFVGGSGQVSERIMDLLGDQVKLNHPVTHVDQSSDNIIIETLNHEHYECKYVINAIPPTLTAKIHFRPELPAERNQLIQRLPMGAVIKCMMYYKEAFWKKKDYCGCMIIEDEDAPISITLDDTKPDGSLPAIMGFILARKADRLAKLHKEIRKKKICELYAKVLGSQEALHPVHYEEKNWCEEQYSGGCYTAYFPPGIMTQYGRVIRQPVGRIFFAGTETATKWSGYMEGAVEAGERAAREVLNGLGKVTEKDIWVQEPESKDVPAVEITHTFWERNLPSVSGLLKIIGFSTSVTALGFVLYKYKLLPRS
  
Inhibitor
Name:
BDBM50110725
Synonyms:
5-(hydroxymethyl)-3-(3-methylphenyl)-oxazolidin-2-one | 5-Hydroxymethyl-3-m-tolyl-oxazolidin-2-one | CHEMBL18116 | TOLOXATONE | Taloxotone
Type:
Small organic molecule
Emp. Form.:
C11H13NO3
Mol. Mass.:
207.2258
SMILES:
Cc1cccc(c1)N1CC(CO)OC1=O
Structure:
Search PDB for entries with ligand similarity: