Reaction Details Report a problem with these data
Target
Membrane primary amine oxidase
Ligand
BDBM220874
Substrate
US9302986, benzylamine
Meas. Tech.
Recombinant SSAO/VAP-1 Inhibition Assay in Rat Fat
pH
7.4±n/a
IC50
<100000±n/a nM
Comments
extracted
Citation
Deodhar, M; Findlay, AD; Foot, JS; Jarolimek, W; Mcdonald, IA; Robertson, AD; Turner, CI Substituted 3-haloallylamine inhibitors of ASSAO and uses thereof US Patent US9302986 Publication Date 4/5/2016
More Info.:
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:
BDBM220874
Synonyms:
US9302986, 11
Type:
Small organic molecule
Emp. Form.:
C10H13FN2O3S
Mol. Mass.:
260.285
SMILES:
NC\C(COc1ccc(cc1)S(N)(=O)=O)=C/F