Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM304133
Substrate
n/a
Meas. Tech.
Factor XIa Assay
IC50
2.10±n/a nM
Citation
 Shen, D; Kuang, R; Kumar, P; Duffy, JL; Zhu, C; Ali, A; Yang, M; Debenham, JS Factor XIa inhibitors US Patent  US10143681 Publication Date 12/4/2018 
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:
BDBM304133
Synonyms:
(R)-4-{[2-{5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-2-yl}-3-(4,4-difluorocyclohexyl)propanoyl]amino}benzoic Acid | US10143681, Example 39
Type:
Small organic molecule
Emp. Form.:
C28H24ClF5N2O5
Mol. Mass.:
598.946
SMILES:
OC(=O)c1ccc(NC(=O)[C@H](CC2CCC(F)(F)CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |r|
Structure:
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