BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCoagulation factor XI
LigandBDBM619968
Substrate/Competitorn/a
Meas. Tech.Factor XIa Inhibition Assay Utilizing a Fluorophore-Quencher Pair Peptide Substrate
IC50 0.300±n/a nM
Citation XU, GGAUL, MDTHIEU, TVZHANG, JWALL, MGAO, LHZHU, BLU, TGUO, BLIU, ZNARGUND, RMACIELAG, 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
More Info.:Get all data from this article,  Assay Method
 
Coagulation factor XI
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:
MIFLYQVVHFILFTSVSGECVTQLLKDTCFEGGDITTVFTPSAKYCQVVCTYHPRCLLFT
FTAESPSEDPTRWFTCVLKDSVTETLPRVNRTAAISGYSFKQCSHQISACNKDIYVDLDM
KGINYNSSVAKSAQECQERCTDDVHCHFFTYATRQFPSLEHRNICLLKHTQTGTPTRITK
LDKVVSGFSLKSCALSNLACIRDIFPNTVFADSNIDSVMAPDAFVCGRICTHHPGCLFFT
FFSQEWPKESQRNLCLLKTSESGLPSTRIKKSKALSGFSLQSCRHSIPVFCHSSFYHDTD
FLGEELDIVAAKSHEACQKLCTNAVRCQFFTYTPAQASCNEGKGKCYLKLSSNGSPTKIL
HGRGGISGYTLRLCKMDNECTTKIKPRIVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSI
IGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYD
IALLKLETTVNYTDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLV
TNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCA
QRERPGVYTNVVEYVDWILEKTQAV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM619968
n/a
NameBDBM619968
Synonyms:5-(2-((3S,8aS)-7-(3-Chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)-5-oxo-1,2,3,5,8,8a-hexahydroindolizin-3-yl)-1H-imidazol-5-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one | US20230295157, Example 292
TypeSmall organic molecule
Emp. Form.C25H19ClFN9O2
Mol. Mass.531.929
SMILESFc1c(Cl)ccc(c1C1=CC(=O)N2[C@@H](CC[C@H]2c2ncc([nH]2)-c2ccc3[nH]c(=O)[nH]c3c2)C1)-n1cnnn1 |r,t:9|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: