Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM345101
Substrate
n/a
Meas. Tech.
Factor XIa Assay
IC50
15.1±n/a nM
Citation
 Liu, W; Edmondson, SD; Guo, Z; Mertz, E; Ogawa, AK; So, S; Sun, W; Brockunier, LL; Ali, A; Kuang, R; Wu, H Factor Xla inhibitors US Patent  US9783530 Publication Date 10/10/2017 
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:
BDBM345101
Synonyms:
4-[(2-{5-[5-chloro-2-(1H- tetrazol-1-yl)phenyl]-1- oxidopyridin-2-yl}-3- cyclopropylpropanoyl) amino]-3-methylbenzoic acid | US9783530, 46 | US9783530, 47
Type:
Small organic molecule
Emp. Form.:
C26H23ClN6O4
Mol. Mass.:
518.952
SMILES:
Cc1cc(ccc1NC(=O)C(CC1CC1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1)C(O)=O
Structure:
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