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Target
Coagulation factor XI
Ligand
BDBM313696
Substrate
n/a
Meas. Tech.
Measurement of FXIa Inhibition
IC50
22.0±n/a nM
Citation
 Röhrig, S; Jimenez Nunez, E; Schlemmer, K; Tersteegen, A; Teller, H; Hillisch, A; Heitmeier, S; Schmidt, MV; Ackerstaff, J; Stampfuß, J Substituted oxopyridine derivatives US Patent  US10167280 Publication Date 1/1/2019 
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:
BDBM313696
Synonyms:
US10167280, Example 1
Type:
Small organic molecule
Emp. Form.:
C23H20ClN5O4
Mol. Mass.:
465.889
SMILES:
CCC(C(=O)Nc1ccc(nc1)C(N)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Structure:
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