Reaction Details Report a problem with these data
Target
Amine oxidase [flavin-containing] A
Ligand
BDBM50181853
Substrate
n/a
Meas. Tech.
ChEMBL_332420 (CHEMBL865201)
IC50
6430±n/a nM
Citation
 Santana, L; Uriarte, E; González-Díaz, H; Zagotto, G; Soto-Otero, R; Méndez-Alvarez, E A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins. J Med Chem 49:1149-56 (2006) [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:
BDBM50181853
Synonyms:
7-acetonyloxy-3-acetylamino-8-methoxycoumarin | CHEMBL201250 | N-(8-methoxy-2-oxo-7-(2-oxopropoxy)-2H-chromen-3-yl)acetamide
Type:
Small organic molecule
Emp. Form.:
C15H15NO6
Mol. Mass.:
305.2827
SMILES:
COc1c(OCC(C)=O)ccc2cc(NC(C)=O)c(=O)oc12
Structure:
Search PDB for entries with ligand similarity: