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Target
Coagulation factor XI
Ligand
BDBM285950
Substrate
n/a
Meas. Tech.
Factor XIa Assay
pH
7.4±n/a
IC50
2.04±n/a nM
Comments
extracted
Citation
 Mertz, E; Edmondson, SD; So, S; Sun, W; Liu, W; Neelamkavil, SF; Gao, Y; Hruza, A; Zang, Y; Ali, A; Mal, R; He, J; Kuang, R; Wu, H; Ogawa, AK; Nolting, AF Factor XIa inhibitors US Patent  US10081617 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:
BDBM285950
Synonyms:
US10081617, Example 97 | methyl [3-chloro-4-(2-{3-[5- chloro-2-(4-cyano-1H-1,2,3- triazol-1-yl)phenyl]-7-hydroxy- 1-oxido-6,7-dihydro-5H- cyclopenta[b]pyridin-7-yl}-1H- imidazol-4-yl)phenyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C28H20Cl2N8O4
Mol. Mass.:
603.416
SMILES:
COC(=O)Nc1ccc(-c2c[nH]c(n2)C2(O)CCc3cc(c[n+]([O-])c23)-c2cc(Cl)ccc2-n2cc(nn2)C#N)c(Cl)c1
Structure:
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