Target
Membrane primary amine oxidase
Ligand
BDBM454291
Substrate
n/a
Meas. Tech.
Inhibit Human Recombinant Assay
IC50
>3000±n/a nM
Citation
 Findlay, ADTurner, CIDeodhar, MFoot, JSJarolimek, WZhou, WRobertson, AD Haloallylamine indole and azaindole derivative inhibitors of lysyl oxidases and uses thereof US Patent  US10717733 Publication Date 7/21/2020 
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:
BDBM454291
Synonyms:
(Z)-1-(4-amino-2-fluorobut-2-en-1-yl)-2- methyl-3-(pyridin-4-yl)-1H-indole-5- sulfonamide | US10717733, Compound 84 | US11098045, Compound 84
Type:
Small organic molecule
Emp. Form.:
C18H19FN4O2S
Mol. Mass.:
374.432
SMILES:
Cc1c(-c2ccncc2)c2cc(ccc2n1C\C(F)=C\CN)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: