Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM304191
Substrate
n/a
Meas. Tech.
Factor XIa Assay
IC50
80.0±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:
BDBM304191
Synonyms:
2-(1-((4- carboxyphenyl)amino)-3-(3- hydroxy-3- methylcyclobutyl)-1- oxopropan-2-yl)-5-(3- chloro-6-(difluoromethyl)- 2-fluorophenyl)pyridine 1- oxide | US10143681, Example 82 | US10143681, Example 83 | US10143681, Example 84 | US10143681, Example 85
Type:
Small organic molecule
Emp. Form.:
C27H24ClF3N2O5
Mol. Mass.:
548.938
SMILES:
CC1(O)CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)C1 |$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-4.66,5.83,;-3.89,4.5,;-5.43,4.5,;-2.4,4.9,;-2,3.41,;-.67,2.64,;-.67,1.1,;.67,.33,;.67,-1.21,;2,1.1,;3.33,.33,;3.33,-1.21,;4.67,-1.98,;6,-1.21,;6,.33,;4.67,1.1,;7.34,-1.98,;7.34,-3.52,;8.67,-1.21,;-2,.33,;-3.33,1.1,;-4.67,.33,;-4.67,-1.21,;-3.33,-1.98,;-2,-1.21,;-.67,-1.98,;-6,-1.98,;-6,-3.52,;-4.67,-4.29,;-7.34,-4.29,;-7.34,-5.83,;-8.67,-3.52,;-8.67,-1.98,;-7.34,-1.21,;-7.34,.33,;-8.67,1.1,;-6,1.1,;-3.49,3.01,)|
Structure:
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