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Target
Membrane primary amine oxidase
Ligand
BDBM228078
Substrate
Vascular adhesion protein 1 (VAP-1)
Meas. Tech.
Radiochemistry Enzymatic Assay
Temperature
298.15±n/a K
IC50
29.0±n/a nM
Comments
extracted
Citation
 Yoshihara, K; Suzuki, D; Yamaki, S; Yamada, H; Mihara, H; Seki, N Guanidine compound US Patent  US9556160 Publication Date 1/31/2017 
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:
BDBM228078
Synonyms:
US9556160, ex 118
Type:
Small organic molecule
Emp. Form.:
C22H27F2N7O2
Mol. Mass.:
459.4923
SMILES:
NC(=N)CC(=O)OCc1cccc(N2CCN(CC2)c2cnc(nc2)N2CC[C@@H](F)C2)c1F |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
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