Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM304232
Substrate
n/a
Meas. Tech.
Factor XIa Assay
IC50
0.800±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:
BDBM304232
Synonyms:
2-(3-(bicyclo[1.1.1]pentan- 1-yl)-1-((4-carboxy-3- fluorophenyl)amino)-1- oxopropan-2-yl)-5-(3- chloro-6-(difluoromethyl)- 2-fluorophenyl)pyridine 1- oxide | BDBM304233 | US10143681, Example 123
Type:
Small organic molecule
Emp. Form.:
C27H21ClF4N2O4
Mol. Mass.:
548.913
SMILES:
OC(=O)c1ccc(NC(=O)C(CC23CC(C2)C3)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1F |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Structure:
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