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Target
Coagulation factor XI
Ligand
BDBM352317
Substrate
n/a
Meas. Tech.
In Vitro Assay
Ki
183±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:
BDBM352317
Synonyms:
US10487086, Example I-136 | US9802939, I-136
Type:
Small organic molecule
Emp. Form.:
C26H25ClN10O
Mol. Mass.:
528.996
SMILES:
Clc1ccc(c(\C=C\C(=O)N[C@H]2CCCCCNc3cc4[nH]ncc4cc3-c3c[nH]c2n3)c1)-n1cnnn1 |r|
Structure:
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