Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM413652
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
0.530±n/a nM
Citation
 Jimenez Nunez, E; Ackerstaff, J; Roehrig, S; Hillisch, A; Meier, K; Heitmeier, S; Tersteegen, A; Stampfuss, J; Ellerbrock, P; Meibom, D; Lang, D Substituted oxopyridine derivatives US Patent  US11180471 Publication Date 11/23/2021 
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:
BDBM413652
Synonyms:
4-{[(2S)-4-tert-Butoxy-2-{4-[5-chloro-2-(1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxopyridin-1(2H)-yl}butanoyl]amino}benzoic acid (Enantiomer 2) | US10421742, Example 46 | US11180471, Example 46
Type:
Small organic molecule
Emp. Form.:
C30H30ClN3O7
Mol. Mass.:
580.028
SMILES:
COc1cn([C@@H](CCOC(C)(C)C)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1-c1ccon1 |r|
Structure:
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