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Target
Coagulation factor XI
Ligand
BDBM286014
Substrate
n/a
Meas. Tech.
In Vitro Assay for FXIa
pH
7.4±n/a
Ki
39.1±n/a nM
Comments
extracted
Citation
 Shi, J; Ewing, WR; Nielsen, L; Hu, Z; Quan, ML Diamide macrocycles that are FXIa inhibitors US Patent  US10081623 Publication Date 9/25/2018 
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:
BDBM286014
Synonyms:
(E/Z)-(+/-)-N-{2-[5-Chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]ethyl}-2,10-dioxo-1,2,3,4,7,8,9,10-octahydro-1,9-benzodiazacyclododecine-8-carboxamide | US10081623, Example 27
Type:
Small organic molecule
Emp. Form.:
C24H24ClN7O3
Mol. Mass.:
493.945
SMILES:
Clc1ccc(c(CCNC(=O)C2CC=CCCC(=O)Nc3ccccc3C(=O)N2)c1)-n1cnnn1 |w:14.14|
Structure:
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