Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM32665
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
16058.26667±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:
BDBM32665
Synonyms:
2-furancarboxylic acid [5-amino-1-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester | CHEMBL387812 | Furan-2-carboxylic acid 5-amino-1-(toluene-4-sulfonyl)-1H-pyrazol-3-yl ester | MLS000033865 | SMR000014913 | US11584714, Compound 39# | [5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate | [5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] furan-2-carboxylate | cid_651936 | furan-2-carboxylic acid (5-amino-1-tosyl-pyrazol-3-yl) ester
Type:
Small organic molecule
Emp. Form.:
C15H13N3O5S
Mol. Mass.:
347.346
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N
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