Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM352291
Substrate
n/a
Meas. Tech.
In Vitro Assay
Ki
217±n/a nM
Citation
 Corte, JR; Fang, T; Decicco, CP; Pinto, DJ; Rossi, KA; Hu, Z; Jeon, Y; Quan, ML; Smallheer, JM; Wang, Y; Yang, W Macrocycles as factor XIa inhibitors US Patent  US9802939 Publication Date 10/31/2017 
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:
BDBM352291
Synonyms:
US9802939, I-10
Type:
Small organic molecule
Emp. Form.:
C26H23ClN8O4
Mol. Mass.:
546.965
SMILES:
COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\CC(=O)Nc2c1)NC(=O)c1cn(nn1)-c1cccc(Cl)c1 |t:17|
Structure:
Search PDB for entries with ligand similarity: