| Reaction Details |
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 | Report a problem with these data |
| Target | Coagulation factor XII |
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| Ligand | BDBM33601 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1758981 (CHEMBL4193989) |
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| IC50 | 1850±n/a nM |
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| Citation |  Chen, JJF; Visco, DP Identifying novel factor XIIa inhibitors with PCA-GA-SVM developed vHTS models. Eur J Med Chem140:31-41 (2017) [PubMed] Article |
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| More Info.: | Get all data from this article, 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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| BDBM33601 |
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| n/a |
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| Name | BDBM33601 |
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| Synonyms: | (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone | (5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone | MLS000115582 | SMR000092655 | [5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone | [5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone | cid_971668 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H13N5O2 |
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| Mol. Mass. | 295.296 |
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| SMILES | COc1ccccc1C(=O)n1nc(nc1N)-c1cccnc1 |
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| Structure | 
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