Reaction Details 
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Coagulation factor XI
Ligand
BDBM289835
Substrate
n/a
Meas. Tech.
Factor XIa Assay
pH
7.4±n/a
Temperature
298.15±n/a K
Ki
523±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 10/9/2018More Info.:
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:
BDBM289835
Synonyms:
Methyl (3-(((S)-1-((R)-6-chloro-2-oxo-1,2-dihydrospiro[benzo[d][1,3]oxazine-4,3′-piperidin]-1′-yl)-1-oxo-3-phenylpropan-2-yl)amino)benzo[d]isoxazol-6-yl)carbamate | US10093683, Example 136
Type:
Small organic molecule
Emp. Form.:
C30H28ClN5O6
Mol. Mass.:
590.026
SMILES:
COC(=O)Nc1ccc2c(N[C@@H](Cc3ccccc3)C(=O)N3CCC[C@@]4(C3)OC(=O)Nc3ccc(Cl)cc43)noc2c1 |r|
Structure:
