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Target
Coagulation factor XI
Ligand
BDBM285886
Substrate
n/a
Meas. Tech.
Factor XIa Assay
pH
7.4±n/a
IC50
36.0±n/a nM
Comments
extracted
Citation
 Mertz, E; Edmondson, SD; So, S; Sun, W; Liu, W; Neelamkavil, SF; Gao, Y; Hruza, A; Zang, Y; Ali, A; Mal, R; He, J; Kuang, R; Wu, H; Ogawa, AK; Nolting, AF Factor XIa inhibitors US Patent  US10081617 Publication Date 9/25/2018 
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:
BDBM285886
Synonyms:
US10081617, Example 34 | US10081617, Example 35 | methyl 4-(2-{3-[5-chloro-2- (1H-tetrazol-1-yl)phenyl]- 7-hydroxy-1-oxido-6,7- dihydro-5H- cyclopenta[b]pyridin-7-yl}- 1H-imidazol-4-yl)-3- fluorothiophene-2- carboxylate
Type:
Small organic molecule
Emp. Form.:
C24H17ClFN7O4S
Mol. Mass.:
553.953
SMILES:
COC(=O)c1scc(c1F)-c1c[nH]c(n1)C1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1
Structure:
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