Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM304171
Substrate
n/a
Meas. Tech.
Factor XIa Assay
IC50
0.210±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:
BDBM304171
Synonyms:
2-((2R)-1-((4- carboxyphenyl)amino)-3-(2- methylcyclopropyl)-1- oxopropan-2-yl)-5-(3-chloro-6- (difluoromethyl)-2- fluorophenyl)pyridine 1-oxide | US10143681, Example 62 | US10143681, Example 63
Type:
Small organic molecule
Emp. Form.:
C26H22ClF3N2O4
Mol. Mass.:
518.912
SMILES:
CC1CC1C[C@@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1C(F)F |r,$;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Structure:
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