Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM45707
Substrate
n/a
Meas. Tech.
Factor XIIa 1536 HTS Dose Response Confirmation
IC50
2287.84±185.429095 nM
Citation
 PubChem, PC Factor XIIa 1536 HTS Dose Response Confirmation PubChem Bioassay (2008)[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:
BDBM45707
Synonyms:
Acetic acid 4-{[(E)-3-methoxy-phenylimino]-methyl}-2-phenyl-oxazol-5-yl ester | MLS000780377 | SMR000424666 | [4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate | [4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] ethanoate | acetic acid [4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-5-oxazolyl] ester | acetic acid [4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-oxazol-5-yl] ester | cid_917296
Type:
Small organic molecule
Emp. Form.:
C19H16N2O4
Mol. Mass.:
336.3413
SMILES:
COc1cccc(c1)\N=C\c1nc(oc1OC(C)=O)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: