Reaction Details | |||
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Target | Coagulation factor XII | ||
Ligand | BDBM476444 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Factor XIIa Assay | ||
IC50 | 0.500±n/a nM | ||
Citation | ![]() | ||
More Info.: | Get all data from this article, Assay Method | ||
Coagulation factor XII | |||
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: |
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BDBM476444 | |||
n/a | |||
Name | BDBM476444 | ||
Synonyms: | 2-chloro-3,4-dimethylphenyl (3S)-4- [N2-(2-benzyl-2-azaspiro[4.5]dec-8- yl)-N2,N6,N6-trimethyl-D-lysyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate | US10875851, Example 100 | ||
Type | Small organic molecule | ||
Emp. Form. | C44H61ClN6O4S | ||
Mol. Mass. | 805.511 | ||
SMILES | CN(C)CCCC[C@@H](N(C)C1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl |r,wU:34.38,wD:7.7,(-9.19,-1.42,;-7.85,-.65,;-7.85,.89,;-6.52,-1.42,;-5.19,-.65,;-3.85,-1.42,;-2.52,-.65,;-1.18,-1.42,;-1.18,-2.96,;-2.52,-3.73,;.15,-3.73,;.15,-5.27,;1.48,-6.04,;2.82,-5.27,;4.28,-4.79,;5.19,-6.04,;4.28,-7.29,;4.68,-8.77,;3.59,-9.86,;2.1,-9.46,;1.01,-10.55,;1.41,-12.04,;2.9,-12.44,;3.99,-11.35,;2.82,-6.81,;2.82,-3.73,;1.48,-2.96,;.15,-.65,;1.48,-1.42,;.15,.89,;-1.18,1.66,;-1.18,3.2,;.15,3.97,;1.48,3.2,;1.48,1.66,;2.82,.89,;2.82,-.65,;4.15,1.66,;5.48,.89,;6.82,1.66,;8.28,1.18,;9.19,2.43,;8.28,3.68,;6.82,3.2,;.15,5.51,;1.48,6.28,;-1.18,6.28,;-1.18,7.82,;.15,8.59,;.15,10.13,;-1.18,10.9,;-1.18,12.44,;-2.52,10.13,;-3.85,10.9,;-2.52,8.59,;-3.85,7.82,)| | ||
Structure | ![]() |