Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM394178
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
6.48±n/a nM
Citation
 Mertz, E; Edmondson, SD; Hruza, A; He, J; So, S; Ali, A; Gao, Y Factor XIa inhibitors US Patent  US9975874 Publication Date 5/22/2018 
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:
BDBM394178
Synonyms:
4-{3-[(1S)-1- {5-[5-chloro-2- (1H-tetrazol- 1-yl)phenyl]- 1- oxidopyridin- 2-yl}-2- phenylethyl] phenyl}-N- (tetrahydrofuran- 3-ylmethyl) piperidine-1- carboxamide | US9975874, Example 52
Type:
Small organic molecule
Emp. Form.:
C37H38ClN7O3
Mol. Mass.:
664.196
SMILES:
[O-][n+]1cc(ccc1[C@@H](Cc1ccccc1)c1cccc(c1)C1CCN(CC1)C(=O)NCC1CCOC1)-c1cc(Cl)ccc1-n1cnnn1 |r|
Structure:
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