Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM40338
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:
BDBM40338
Synonyms:
1-Pyrazin-2-yl-piperidine-4-carboxylic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide | MLS000073963 | N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-pyrazinyl)-4-piperidinecarboxamide | N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-yl-isonipecotamide | N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-yl-piperidine-4-carboxamide | N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide | SMR000006891 | cid_653442
Type:
Small organic molecule
Emp. Form.:
C13H16N6OS
Mol. Mass.:
304.371
SMILES:
Cc1nnc(NC(=O)C2CCN(CC2)c2cnccn2)s1
Structure:
Search PDB for entries with ligand similarity: