Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM285994
Substrate
n/a
Meas. Tech.
In Vitro Assay for FXIa
pH
7.4±n/a
Ki
708±n/a nM
Comments
extracted
Citation
 Shi, J; Ewing, WR; Nielsen, L; Hu, Z; Quan, ML Diamide macrocycles that are FXIa inhibitors US Patent  US10081623 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:
BDBM285994
Synonyms:
(+/-)-Methyl N-{2,10-dioxo-8-[(2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)carbamoyl]-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecin-13-yl}carbamate | US10081623, Example 7
Type:
Small organic molecule
Emp. Form.:
C26H29N5O6
Mol. Mass.:
507.5384
SMILES:
COC(=O)Nc1ccc2c(NC(=O)CCCCCC(NC2=O)C(=O)NC2Cc3ccccc3NC2=O)c1
Structure:
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