Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM619989
Substrate
n/a
Meas. Tech.
Factor XIa Inhibition Assay Utilizing a Fluorophore-Quencher Pair Peptide Substrate
IC50
0.200±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:
BDBM619989
Synonyms:
(3S)-3-(5-(3-Amino-1H-indazol-6-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 313
Type:
Small organic molecule
Emp. Form.:
C25H20ClFN10O
Mol. Mass.:
530.944
SMILES:
Nc1n[nH]c2cc(ccc12)-c1cnc([nH]1)[C@@H]1CCC2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:23|
Structure:
Search PDB for entries with ligand similarity: