Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM304121
Substrate
n/a
Meas. Tech.
Factor XIa Assay
IC50
7.60±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:
BDBM304121
Synonyms:
2-(1-((4-carboxyphenyl)amino)-3-(1- cyanocyclopropyl)-1-oxopropan-2- yl)-5-(3-chloro-2-fluoro-6- (trifluoromethyl)phenyl)pyridine 1- oxide | US10143681, Example 30
Type:
Small organic molecule
Emp. Form.:
C26H18ClF4N3O4
Mol. Mass.:
547.885
SMILES:
OC(=O)c1ccc(NC(=O)C(CC2(CC2)C#N)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)(F)F)cc1 |w:10.10,$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Structure:
Search PDB for entries with ligand similarity: