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Target
Membrane primary amine oxidase
Ligand
BDBM454258
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
>3000±n/a nM
Citation
 Findlay, AD; Turner, CI; Deodhar, M; Foot, JS; Jarolimek, W; Zhou, W; Robertson, AD Haloallylamine indole and azaindole derivative inhibitors of lysyl oxidases and uses thereof US Patent  US11098045 Publication Date 8/24/2021 
Target
Name:
Membrane primary amine oxidase
Synonyms:
AOC3 | AOC3_HUMAN | Amine oxidase, copper containing | Semicarbazide-sensitive amine oxidase (SSAO) | Semicarbazide-sensitive amine oxidase/ Vascular adhesion protein 1 (SSAO/VAP-1) | VAP1 | Vascular adhesion protein 1 (VAP-1)
Type:
Protein
Mol. Mass.:
84620.86
Organism:
Homo sapiens (Human)
Description:
Q16853
Residue:
763
Sequence:
MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN
  
Inhibitor
Name:
BDBM454258
Synonyms:
(Z)-3-(1-(4-amino-2-fluorobut-2-en-1-yl)- 5-cyano-2-methyl-1H-indol-3-yl)-N,N- dimethylbenzenesulfonamide | US10717733, Compound 51 | US11098045, Compound 51
Type:
Small organic molecule
Emp. Form.:
C22H23FN4O2S
Mol. Mass.:
426.507
SMILES:
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C#N
Structure:
Search PDB for entries with ligand similarity: