Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM33442
Substrate
Boc-Gln-Gly-Arg-AMC
Meas. Tech.
Factor XIIa Dose Response Confirmation from Single Well HTS
pH
7.4000±n/a
Temperature
296.1500±n/a K
IC50
18527.74333±n/a nM
Citation
 PubChem, PC Factor XIIa Dose Response Confirmation from Single Well HTS PubChem Bioassay (2007)[AID] 
Target
Name:
Coagulation factor XII
Synonyms:
Coagulation factor XIIa heavy chain | Beta-factor XIIa part 1 | Beta-factor XIIa part 2 | Coagulation factor XIIa light chain | Hageman factor | HAF | Factor XIIa (fXIIa) | Carboxylesterase 2 (intestine, liver) | Coagulation factor XII | FA12_HUMAN | F12 | Factor XIIa | Coagulation factor XII (FXII)
Type:
Enzyme
Mol. Mass.:
67810.07
Organism:
Human
Description:
P00748
Residue:
615
Sequence:
MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS
  
Inhibitor
Name:
BDBM33442
Synonyms:
SMR000055057 | (4-ethanoylphenyl) 5-bromanylfuran-2-carboxylate | (4-acetylphenyl) 5-bromofuran-2-carboxylate | MLS000105128 | cid_786607 | 5-bromo-2-furancarboxylic acid (4-acetylphenyl) ester | 5-bromofuran-2-carboxylic acid (4-acetylphenyl) ester
Type:
Small organic molecule
Emp. Form.:
C13H9BrO4
Mol. Mass.:
307.97
SMILES:
CC(=O)c1ccc(OC(=O)c2ccc(Br)o2)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Boc-Gln-Gly-Arg-AMC
Synonyms:
n/a
Type:
fluorescent substrate
Mol. Mass.:
358.43
Organism:
n/a
Description:
n/a
Residue:
3
Sequence:
NA