Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM41387
Substrate
n/a
Meas. Tech.
Factor XIIa 1536 HTS Dose Response Confirmation
IC50
1056.556667±62.467438 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:
BDBM41387
Synonyms:
5-amino-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoyl]pyrazole-4-carbonitrile | 5-amino-1-[4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoyl]pyrazole-4-carbonitrile | 5-amino-1-[[4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]-oxomethyl]-4-pyrazolecarbonitrile | 5-azanyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]carbonyl-pyrazole-4-carbonitrile | MLS000057838 | SMR000063201 | cid_2084089
Type:
Small organic molecule
Emp. Form.:
C15H13N7OS
Mol. Mass.:
339.375
SMILES:
Cn1cnnc1SCc1ccc(cc1)C(=O)n1ncc(C#N)c1N
Structure:
Search PDB for entries with ligand similarity: