Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM304189
Substrate
n/a
Meas. Tech.
Factor XIa Assay
IC50
1.20±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:
BDBM304189
Synonyms:
2-(1-((4- carboxyphenyl)amino)-3-(3- fluorocyclobutyl)-1- oxopropan-2-yl)-5-(3- chloro-6-(difluoromethyl)- 2-fluorophenyl)pyridine 1- oxide | BDBM304190 | US10143681, Example 80
Type:
Small organic molecule
Emp. Form.:
C26H21ClF4N2O4
Mol. Mass.:
536.903
SMILES:
OC(=O)c1ccc(NC(=O)C(CC2CC(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(7.34,-3.24,;7.34,-1.7,;8.67,-.93,;6,-.93,;4.67,-1.7,;3.33,-.93,;3.33,.61,;2,1.38,;.67,.61,;.67,-.93,;-.67,1.38,;-.67,2.92,;-2,3.69,;-2.4,5.18,;-3.89,4.78,;-5.22,5.55,;-3.49,3.29,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-3.33,-1.7,;-2,-.93,;-.67,-1.7,;-6,-1.7,;-6,-3.24,;-4.67,-4.01,;-7.34,-4.01,;-7.34,-5.55,;-8.67,-3.24,;-8.67,-1.7,;-7.34,-.93,;-7.34,.61,;-8.67,1.38,;-6,1.38,;4.67,1.38,;6,.61,)|
Structure:
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