Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM33436
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
2481.16±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:
BDBM33436
Synonyms:
3-(2-furyl)-1-(2-methoxybenzoyl)-1H-1,2,4-triazol-5-amine | MLS000099528 | SMR000074220 | [5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone | [5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone | [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone | [5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone | cid_969710
Type:
Small organic molecule
Emp. Form.:
C14H12N4O3
Mol. Mass.:
284.2701
SMILES:
COc1ccccc1C(=O)n1nc(nc1N)-c1ccco1
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