Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM33425
Substrate
Boc-Gln-Gly-Arg-AMC
Meas. Tech.
Factor XIIa Dose Response Confirmation from Single Well HTS
pH
7.4±n/a
Temperature
296.15±n/a K
IC50
>50000±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:
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:
BDBM33425
Synonyms:
5-(1-benzoyl-3-piperidinyl)-3-(phenylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one | 5-(1-benzoyl-3-piperidyl)-3-benzyl-2H-triazolo[4,5-d]pyrimidin-7-one | 5-(1-benzoylpiperidin-3-yl)-3-benzyl-2H-triazolo[4,5-d]pyrimidin-7-one | 5-[1-(phenylcarbonyl)piperidin-3-yl]-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one | MLS000069005 | SMR000007422 | [3-(3-Benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-piperidin-1-yl]-phenyl-methanone | cid_648416
Type:
Small organic molecule
Emp. Form.:
C23H22N6O2
Mol. Mass.:
414.4598
SMILES:
O=C(N1CCCC(C1)c1nc2n(Cc3ccccc3)nnc2c(=O)[nH]1)c1ccccc1
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