Reaction Details |
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Target | Coagulation factor XII |
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Ligand | BDBM50541586 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1984896 (CHEMBL4618302) |
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Ki | 1300±n/a nM |
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Citation | Yang, W; Wang, Y; Lai, A; Clark, CG; Corte, JR; Fang, T; Gilligan, PJ; Jeon, Y; Pabbisetty, KB; Rampulla, RA; Mathur, A; Kaspady, M; Neithnadka, PR; Arumugam, A; Raju, S; Rossi, KA; Myers, JE; Sheriff, S; Lou, Z; Zheng, JJ; Chacko, SA; Bozarth, JM; Wu, Y; Crain, EJ; Wong, PC; Seiffert, DA; Luettgen, JM; Lam, PYS; Wexler, RR; Ewing, WR Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species. J Med Chem63:7226-7242 (2020) [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 |
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: | MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHK
CTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCL
CPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRT
NPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQP
WASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQ
AAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCG
QRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAP
EDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSP
YVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGS
SILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYT
DVAYYLAWIREHTVS
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BDBM50541586 |
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n/a |
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Name | BDBM50541586 |
Synonyms: | CHEMBL4638245 |
Type | Small organic molecule |
Emp. Form. | C31H29ClF2N4O4 |
Mol. Mass. | 595.036 |
SMILES | COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:22| |
Structure |
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