Reaction Details  Report a problem with these data
Target
Membrane primary amine oxidase
Ligand
BDBM50589703
Substrate
n/a
Meas. Tech.
ChEMBL_2194159 (CHEMBL5106519)
IC50
5.0±n/a nM
Citation
 Foot, JS; Buson, A; Deodhar, M; Findlay, AD; Robertson, AD; Turner, CI; Yow, T; Zhou, W; Jarolimek, W Combining monoamine oxidase B and semicarbazide-sensitive amine oxidase enzyme inhibition to address inflammatory disease. Bioorg Med Chem Lett 74:0 (2022) [PubMed]  Article
Target
Name:
Membrane primary amine oxidase
Synonyms:
AOC3_RAT | Amine oxidase, copper containing | Aoc3 | Semicarbazide-sensitive amine oxidase/ Vascular adhesion protein 1 (SSAO/VAP-1) | Vascular adhesion protein 1 (VAP-1)
Type:
Enzyme
Mol. Mass.:
84979.78
Organism:
Rattus norvegicus (Rat)
Description:
O08590
Residue:
763
Sequence:
MTQKTTLVLLALAVITIFALVCVLLAGRSGDGGRLSQPLHCPSVLPSVQPQTHPGQSQPFADLSPEELTAVMSFLIKHLGPGLVDAAQARPSDNCVFSVELQLPAKAAALAHLDRGGPPPVREALAIIFFGGQPKPNVSELVVGPLPHPSYMRDVTVERHGGPLPYYRRPVLTREYQDIQEMIFHRELPQASGLLHHCCFYKRQGHNLLKMTTAPRGLQSGDRATWFGIYYNLSGAGFYPHPIGLELLVDHKALDPALWTIQKVFYQGRYYESLTQLEDMFEAGLVNVVLVPDNGTGGSWSLKSSVPPGRAPPLQFHPEGPRFSVQGSQVRSSLWAFSFGLGAFSGPRIFDIRFQGERVAYEISVQEAIALYGGNSPASMSTCYMDGSFGIGKYSTPLTRGVDCPYLATYVDWHFLLESQTPKTLRDAFCVFEQNQGLPLRRHHSDFYSHYFGGVVETVLVVRSVATLLNYDYVWDMVFHSNGAIEVKFHATGYITSAFFFGAGEKFGNRVAEHTLGTVHTHNAHFKVDLDVAGLKNWAWAEDLAFVPMNVPWQPEFQMQRLQVTRKLLETEEEAAFPLGNATPRYLYLASNHSNKWGHRRGYRIQILSFAGKPLPQESPIEKAFTWGRYHLAVTQRKEEEPSSSSIYNQNDPWTPTVDFTDFISNETIAGEDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSPDSIYFRKDQDVTDCEVNSLACLSQTANCVPDLPAFSHGGFTYK
  
Inhibitor
Name:
BDBM50589703
Synonyms:
CHEMBL5196906
Type:
Small organic molecule
Emp. Form.:
C11H13ClFNO
Mol. Mass.:
229.678
SMILES:
Cl.NC\C(=C/F)[C@H]1Cc2ccccc2O1 |r|
Structure:
Search PDB for entries with ligand similarity: