Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Coagulation factor XI | ||
| Ligand | BDBM304127 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Factor XIa Assay | ||
| IC50 | 0.330±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: |
| ||
| BDBM304127 | |||
| n/a | |||
| Name | BDBM304127 | ||
| Synonyms: | (S)- or (R)-2-(1-((4- carboxyphenyl)amino)-3- ((1r,4r)-4-hydroxycyclohexyl)- 1-oxopropan-2-yl)-5-(3-chloro- 6-(difluoromethyl)-2- fluorophenyl)pyridine 1-oxide | BDBM304131 | US10143681, Example 36 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H26ClF3N2O5 | ||
| Mol. Mass. | 562.965 | ||
| SMILES | O[C@H]1CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)CC1 |r,wU:1.0,wD:4.4,$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(4.67,5.78,;3.33,5,;3.33,3.47,;2,2.69,;.67,3.47,;-.67,2.69,;-.67,1.15,;.67,.38,;.67,-1.15,;2,1.15,;3.33,.38,;3.33,-1.15,;4.67,-1.93,;6,-1.15,;6,.38,;4.67,1.15,;7.34,-1.93,;8.67,-1.15,;7.34,-3.47,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-2,-1.15,;-.67,-1.93,;-6,-1.93,;-6,-3.47,;-4.67,-4.23,;-7.34,-4.23,;-7.34,-5.78,;-8.67,-3.47,;-8.67,-1.93,;-7.34,-1.15,;-7.34,.38,;-8.67,1.15,;-6,1.15,;.67,5,;2,5.78,)| | ||
| Structure | 
| ||