Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM345105
Substrate
n/a
Meas. Tech.
Factor XIa Assay
IC50
0.190±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:
BDBM345105
Synonyms:
4-[(2-{5-[3-chloro-2- fluoro-6-(1H-tetrazol-1- yl)phenyl]-1- oxidopyridin-2-yl}-3- cyclopropylpropanoyl) amino]benzoic acid | US9783530, 50
Type:
Small organic molecule
Emp. Form.:
C25H20ClFN6O4
Mol. Mass.:
522.916
SMILES:
OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2-n2cnnn2)cc1
Structure:
Search PDB for entries with ligand similarity: