Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM439443
Substrate
n/a
Meas. Tech.
Biological Activity Assay
IC50
13110±n/a nM
Citation
 Yang, F; Wang, W; Li, X; Chen, G; He, F; Tao, W Oxopicolinamide derivative, preparation method therefor and pharmaceutical use thereof US Patent  US11084808 Publication Date 8/10/2021 
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:
BDBM439443
Synonyms:
(S)-4-(2-(4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl)-3-cyclobutylpropanamido)benzoic acid | US10633375, Compound No. 161 | US11084808, Compound 161
Type:
Small organic molecule
Emp. Form.:
C28H26ClFN2O6
Mol. Mass.:
540.967
SMILES:
COc1cn([C@@H](CC2CCC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1c(F)c(Cl)ccc1C(C)=O |r,wU:5.4,(-5.33,3.11,;-5.33,1.57,;-4,.8,;-2.67,1.57,;-1.33,.8,;,1.57,;,3.11,;-1.33,3.88,;-1.73,5.36,;-3.22,4.97,;-2.82,3.48,;1.33,.8,;1.33,-.74,;2.67,1.57,;4,.8,;4,-.74,;5.33,-1.51,;6.67,-.74,;6.67,.8,;5.33,1.57,;8,-1.51,;9.34,-.74,;8,-3.05,;-1.33,-.74,;,-1.51,;-2.67,-1.51,;-4,-.74,;-5.33,-1.51,;-6.67,-.74,;-6.67,.8,;-8,-1.51,;-9.34,-.74,;-8,-3.05,;-6.67,-3.82,;-5.33,-3.05,;-4,-3.82,;-2.67,-3.05,;-4,-5.36,)|
Structure:
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