Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM620027
Substrate
n/a
Meas. Tech.
Factor XIa Inhibition Assay Utilizing a Fluorophore-Quencher Pair Peptide Substrate
IC50
0.300±n/a nM
Citation
 XU, G; GAUL, MD; THIEU, TV; ZHANG, J; WALL, M; GAO, LH; ZHU, B; LU, T; GUO, B; LIU, Z; NARGUND, R; MACIELAG, MJ 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS US Patent  US20230295157 Publication Date 9/21/2023 
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:
BDBM620027
Synonyms:
(3S,8aS)-3-(5-(6-Amino-2-chloropyridin-3-yl)-1H-imidazol-2-yl)-7-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one | US20230295157, Example 352
Type:
Small organic molecule
Emp. Form.:
C23H18Cl2FN9O
Mol. Mass.:
526.353
SMILES:
Nc1ccc(-c2cnc([nH]2)[C@@H]2CC[C@H]3CC(=CC(=O)N23)c2c(F)c(Cl)ccc2-n2cnnn2)c(Cl)n1 |r,c:16|
Structure:
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