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Target
Coagulation factor XI
Ligand
BDBM289850
Substrate
n/a
Meas. Tech.
Factor XIa Assay
pH
7.4±n/a
Temperature
298.15±n/a K
Ki
>875±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:
BDBM289850
Synonyms:
N—((S)-1-((R)-6-chloro-5-fluoro-2-oxo-1,2-dihydrospiro[benzo[d][1,3]oxazine-4,3′-piperidin]-1′-yl)-1-oxo-3-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-indazole-5-carboxamide | US10093683, Example 256
Type:
Small organic molecule
Emp. Form.:
C30H24ClF4N5O4
Mol. Mass.:
629.989
SMILES:
Fc1c(Cl)ccc2NC(=O)O[C@]3(CCCN(C3)C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc4[nH]nc(c4c3)C(F)(F)F)c12 |r|
Structure:
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