Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM40361
Substrate
n/a
Meas. Tech.
Factor XIIa Dose Response Confirmation
IC50
>50000±0 nM
Citation
 PubChem, PC Factor XIIa Dose Response Confirmation PubChem Bioassay (2008)[AID] 
Target
Name:
Coagulation factor XII
Synonyms:
Beta-factor XIIa part 1 | Beta-factor XIIa part 2 | Carboxylesterase 2 (intestine, liver) | Coagulation factor XII | Coagulation factor XII (FXII) | Coagulation factor XIIa heavy chain | Coagulation factor XIIa light chain | F12 | FA12_HUMAN | Factor XIIa | Factor XIIa (fXIIa) | HAF | Hageman factor
Type:
Enzyme
Mol. Mass.:
67810.07
Organism:
Homo sapiens (Human)
Description:
P00748
Residue:
615
Sequence:
MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS
  
Inhibitor
Name:
BDBM40361
Synonyms:
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3-bromo-4-methylanilino)methyl]-4-triazolecarboxylic acid ethyl ester | 1-(4-aminofurazan-3-yl)-5-[(3-bromo-4-methyl-anilino)methyl]triazole-4-carboxylic acid ethyl ester | MLS000043856 | SMR000021067 | cid_1044872 | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3-bromo-4-methylanilino)methyl]triazole-4-carboxylate | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(3-bromo-4-methylphenyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate | ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[[(3-bromanyl-4-methyl-phenyl)amino]methyl]-1,2,3-triazole-4-carboxylate
Type:
Small organic molecule
Emp. Form.:
C15H16BrN7O3
Mol. Mass.:
422.237
SMILES:
CCOC(=O)c1nnn(c1CNc1ccc(C)c(Br)c1)-c1nonc1N
Structure:
Search PDB for entries with ligand similarity: