| Reaction Details |
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 | Report a problem with these data |
| Target | Coagulation factor XII |
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| Ligand | BDBM50583798 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2158168 (CHEMBL5042918) |
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| IC50 | 66±n/a nM |
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| Citation |  Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ Potent Cyclic Peptide Inhibitors of FXIIa Discovered by mRNA Display with Genetic Code Reprogramming. J Med Chem64:7853-7876 (2021) [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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| BDBM50583798 |
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| n/a |
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| Name | BDBM50583798 |
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| Synonyms: | CHEMBL5082694 |
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| Type | Small organic molecule |
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| Emp. Form. | C66H102FN23O16S |
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| Mol. Mass. | 1524.724 |
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| SMILES | [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r| |
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| Structure | 
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