Reaction Details Report a problem with these data
Target
Membrane primary amine oxidase
Ligand
BDBM128990
Substrate
n/a
Meas. Tech.
Inhibition Assay
Temperature
298.15±n/a K
IC50
31±n/a nM
Comments
extracted
Citation
 Yoshihara, K; Suzuki, D; Yamaki, S; Koga, Y; Seki, N; Fujiyasu, J; Neya, M Glycine compound US Patent  US8802679 Publication Date 8/12/2014 
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:
BDBM128990
Synonyms:
US8802679, 33
Type:
Small organic molecule
Emp. Form.:
C26H28ClN7O3
Mol. Mass.:
521.999
SMILES:
CN(Cc1cccc(c1)-c1cnc(nc1)N1CCN(CC1)c1ncc(\C=C\C(O)=O)cc1Cl)C(=O)CN
Structure:
Search PDB for entries with ligand similarity: