Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM33447
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
6221.753333±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:
BDBM33447
Synonyms:
(4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) furan-2-carboxylate | (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) furan-2-carboxylate | 2-furancarboxylic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester | Furan-2-carboxylic acid 4-oxo-1,2,3,4-tetrahydro-cyclopenta[c]chromen-7-yl ester | MLS000526449 | SMR000116923 | cid_718321 | furan-2-carboxylic acid (4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester
Type:
Small organic molecule
Emp. Form.:
C17H12O5
Mol. Mass.:
296.2742
SMILES:
O=C(Oc1ccc2c3CCCc3c(=O)oc2c1)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