Reaction Details | |||
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Target | Coagulation factor XI | ||
Ligand | BDBM304191 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Factor XIa Assay | ||
IC50 | 2.60±n/a nM | ||
Citation | Shen, D; Kuang, R; Kumar, P; Duffy, JL; Zhu, C; Ali, A; Yang, M; Debenham, JS Factor XIa inhibitors US Patent US10143681 Publication Date 12/4/2018 | ||
More Info.: | Get all data from this article, Assay Method | ||
Coagulation factor XI | |||
Name: | Coagulation factor XI | ||
Synonyms: | Coagulation factor XIa | Coagulation factor XIa heavy chain | Coagulation factor XIa light chain | F11 | FA11_HUMAN | FXI | Factor XIa | Factor XIa (fXIa) | PTA | Plasma thromboplastin antecedent | ||
Type: | Enzyme | ||
Mol. Mass.: | 70130.58 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P03951 | ||
Residue: | 625 | ||
Sequence: |
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BDBM304191 | |||
n/a | |||
Name | BDBM304191 | ||
Synonyms: | 2-(1-((4- carboxyphenyl)amino)-3-(3- hydroxy-3- methylcyclobutyl)-1- oxopropan-2-yl)-5-(3- chloro-6-(difluoromethyl)- 2-fluorophenyl)pyridine 1- oxide | US10143681, Example 82 | US10143681, Example 83 | US10143681, Example 84 | US10143681, Example 85 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H24ClF3N2O5 | ||
Mol. Mass. | 548.938 | ||
SMILES | CC1(O)CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)C1 |$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-4.66,5.83,;-3.89,4.5,;-5.43,4.5,;-2.4,4.9,;-2,3.41,;-.67,2.64,;-.67,1.1,;.67,.33,;.67,-1.21,;2,1.1,;3.33,.33,;3.33,-1.21,;4.67,-1.98,;6,-1.21,;6,.33,;4.67,1.1,;7.34,-1.98,;7.34,-3.52,;8.67,-1.21,;-2,.33,;-3.33,1.1,;-4.67,.33,;-4.67,-1.21,;-3.33,-1.98,;-2,-1.21,;-.67,-1.98,;-6,-1.98,;-6,-3.52,;-4.67,-4.29,;-7.34,-4.29,;-7.34,-5.83,;-8.67,-3.52,;-8.67,-1.98,;-7.34,-1.21,;-7.34,.33,;-8.67,1.1,;-6,1.1,;-3.49,3.01,)| | ||
Structure |