Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM40365
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:
BDBM40365
Synonyms:
4-[4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester | 4-[[4-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester | MLS000091950 | SMR000026474 | cid_3241212 | ethyl 4-[4-({[(4-methoxyphenyl)sulfonyl]amino}methyl)benzoyl]piperazine-1-carboxylate | ethyl 4-[4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzoyl]piperazine-1-carboxylate | ethyl 4-[4-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]carbonylpiperazine-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C22H27N3O6S
Mol. Mass.:
461.531
SMILES:
CCOC(=O)N1CCN(CC1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(OC)cc2)cc1
Structure:
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