Reaction Details Report a problem with these data
Target
Amine oxidase [flavin-containing] A
Ligand
BDBM15605
Substrate
n/a
Meas. Tech.
ChEMBL_739780 (CHEMBL1763606)
Ki
19998618.7±n/a nM
Citation
 Shelke, SM; Bhosale, SH; Dash, RC; Suryawanshi, MR; Mahadik, KR Exploration of new scaffolds as potential MAO-A inhibitors using pharmacophore and 3D-QSAR based in silico screening. Bioorg Med Chem Lett 21:2419-24 (2011) [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:
BDBM15605
Synonyms:
(S)-N-(alpha-Cyclohexylethyl),N-methyl-1H-pyrrole-2-carboxamide | N-[(1S)-1-cyclohexylethyl]-N-methyl-1H-pyrrole-2-carboxamide | pyrrole inhibitor 30
Type:
Small organic molecule
Emp. Form.:
C14H22N2O
Mol. Mass.:
234.3373
SMILES:
C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc[nH]1 |r|
Structure:
Search PDB for entries with ligand similarity: