Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM40349
Substrate
n/a
Meas. Tech.
Factor XIIa Dose Response Confirmation
IC50
>50000±0 nM
Citation
 PubChem, PC Factor XIIa 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:
BDBM40349
Synonyms:
2-[[4-allyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(1,1-diketothiolan-3-yl)-N-methyl-acetamide | MLS000058718 | N-(1,1-dioxo-3-thiolanyl)-2-[[5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-methylacetamide | N-(1,1-dioxothiolan-3-yl)-2-[[5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide | N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[[5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide | SMR000067223 | cid_2999475
Type:
Small organic molecule
Emp. Form.:
C21H28N4O4S2
Mol. Mass.:
464.601
SMILES:
CCc1ccc(OCc2nnc(SCC(=O)N(C)C3CCS(=O)(=O)C3)n2CC=C)cc1
Structure:
Search PDB for entries with ligand similarity: