Reaction Details Report a problem with these data
Target
Amine oxidase [flavin-containing] A
Ligand
BDBM50402334
Substrate
n/a
Meas. Tech.
ChEMBL_885770 (CHEMBL2213281)
IC50
14700±n/a nM
Citation
 Mostert, S; Mentz, W; Petzer, A; Bergh, JJ; Petzer, JP Inhibition of monoamine oxidase by 8-[(phenylethyl)sulfanyl]caffeine analogues. Bioorg Med Chem 20:7040-50 (2012) [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:
BDBM50402334
Synonyms:
CHEMBL2206089
Type:
Small organic molecule
Emp. Form.:
C16H17FN4O2S
Mol. Mass.:
348.395
SMILES:
Cn1c(SCCc2ccc(F)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Structure:
Search PDB for entries with ligand similarity: