Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM357026
Substrate
n/a
Meas. Tech.
Factor XIa Assay
Ki
0.100±n/a nM
Citation
 Xu, J; Ali, A; Zhou, W; Gao, Y; Edmondson, SD; Mertz, E; Neelamkavil, SF; Liu, W; Sun, W; Shen, D; Harper, B; Zhu, C; Bara, T; Lim, Y; Yang, M Factor XIA inhibitors US Patent  US10214512 Publication Date 2/26/2019 
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:
BDBM357026
Synonyms:
5-(5-Chloro-2-(1H-tetrazol-1-yl)phenyl)-2-(24-((methoxycarbonyl)amino)-4-oxo-3-aza-1(1,3),2(1,2) -dibenzenacyclononaphane-9-yl)pyridine 1-oxide | US10214512, Example 6-a
Type:
Small organic molecule
Emp. Form.:
C32H28ClN7O4
Mol. Mass.:
610.062
SMILES:
COC(=O)Nc1ccc-2c(NC(=O)CCCCC(c3cccc-2c3)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cnnn2)c1
Structure:
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