Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM45591
Substrate
n/a
Meas. Tech.
Factor XIIa 1536 HTS Dose Response Confirmation
IC50
>50000±0 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:
BDBM45591
Synonyms:
4-[(4-hydroxyphenyl)thiocarbamoylamino]benzoic acid methyl ester | 4-[[(4-hydroxyanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester | MLS000693352 | SMR000299896 | cid_726319 | methyl 4-({[(4-hydroxyphenyl)amino]carbonothioyl}amino)benzoate | methyl 4-[(4-hydroxyphenyl)carbamothioylamino]benzoate
Type:
Small organic molecule
Emp. Form.:
C15H14N2O3S
Mol. Mass.:
302.348
SMILES:
COC(=O)c1ccc(NC(=S)Nc2ccc(O)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: