| Reaction Details |
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 | Report a problem with these data |
| Target | Coagulation factor XII |
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| Ligand | BDBM33697 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Factor XIIa 1536 HTS Dose Response Confirmation |
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| IC50 | 964.543333±98.591759 nM |
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| Citation |  PubChem, PC Factor XIIa 1536 HTS Dose Response Confirmation PubChem Bioassay(2008)[AID] |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Coagulation factor XII |
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| Name: | Coagulation factor XII |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 67810.07 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P00748 |
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| Residue: | 615 |
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| Sequence: | MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHK
CTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCL
CPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRT
NPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQP
WASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQ
AAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCG
QRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAP
EDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSP
YVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGS
SILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYT
DVAYYLAWIREHTVS
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| BDBM33697 |
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| n/a |
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| Name | BDBM33697 |
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| Synonyms: | 2-[[5-(m-toluoylamino)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester | 2-[[5-[[(3-methylphenyl)-oxomethyl]amino]-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester | MLS000327834 | SMR000180809 | cid_4271676 | ethyl 2-({3-[(3-methylbenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate | ethyl 2-[[5-[(3-methylbenzoyl)amino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate | ethyl 2-[[5-[(3-methylphenyl)carbonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate |
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| Type | Small organic molecule |
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| Emp. Form. | C14H16N4O3S |
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| Mol. Mass. | 320.367 |
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| SMILES | CCOC(=O)CSc1nnc(NC(=O)c2cccc(C)c2)[nH]1 |
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| Structure | 
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