Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM131020
Substrate
n/a
Meas. Tech.
In Vitro Assay
pH
7.4±n/a
Ki
8.16±n/a nM
Comments
extracted
Citation
 Quan, ML; Decicco, CP; Corte, JR; Wang, C Macrocycles as factor XIa inhibitors US Patent  US8828983 Publication Date 9/9/2014 
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:
BDBM131020
Synonyms:
US8828983, 102
Type:
Small organic molecule
Emp. Form.:
C33H30Cl2N8O3
Mol. Mass.:
657.549
SMILES:
COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](Cc3cccc(CCCCc2c1)c3)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
Structure:
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