Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM289820
Substrate
n/a
Meas. Tech.
Factor XIa Assay
pH
7.4±n/a
Temperature
298.15±n/a K
Ki
209±n/a nM
Comments
extracted
Citation
 Lim, Y; Guo, Z; Ali, A; Edmondson, SD; Liu, W; Gallo-Etienne, GV; Wu, H; Gao, Y; Stamford, AW; Yu, Y; Kevin, NJ; Anand, R; Sha, D; Neelamkavil, SF; Hussain, Z; Kumar, P; Moningka, R; Duffy, JL; Xu, J; Jiang, Y; Chakrabarti, A; Sone, H Factor XIa inhibitors US Patent  US10093683 Publication Date 10/9/2018 
Target
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:
MIFLYQVVHFILFTSVSGECVTQLLKDTCFEGGDITTVFTPSAKYCQVVCTYHPRCLLFTFTAESPSEDPTRWFTCVLKDSVTETLPRVNRTAAISGYSFKQCSHQISACNKDIYVDLDMKGINYNSSVAKSAQECQERCTDDVHCHFFTYATRQFPSLEHRNICLLKHTQTGTPTRITKLDKVVSGFSLKSCALSNLACIRDIFPNTVFADSNIDSVMAPDAFVCGRICTHHPGCLFFTFFSQEWPKESQRNLCLLKTSESGLPSTRIKKSKALSGFSLQSCRHSIPVFCHSSFYHDTDFLGEELDIVAAKSHEACQKLCTNAVRCQFFTYTPAQASCNEGKGKCYLKLSSNGSPTKILHGRGGISGYTLRLCKMDNECTTKIKPRIVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV
  
Inhibitor
Name:
BDBM289820
Synonyms:
Methyl 4-(5-(1-(tert-butoxy)-1-oxo-3-phenylpropan-2-yl)-1H-imidazol-2-yl)-3-fluorothiophene-2-carboxylate | US10093683, Example 124
Type:
Small organic molecule
Emp. Form.:
C29H23ClF2N4O5S
Mol. Mass.:
613.032
SMILES:
OC(=O)c1scc(c1F)-c1c[nH]c(n1)C(Cc1ccccc1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
Structure:
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