Target
Coagulation factor XI
Ligand
BDBM285972
Substrate
n/a
Meas. Tech.
Factor XIa Assay
pH
7.4±n/a
IC50
19.4±n/a nM
Comments
extracted
Citation
 Mertz, EEdmondson, SDSo, SSun, WLiu, WNeelamkavil, SFGao, YHruza, AZang, YAli, AMal, RHe, JKuang, RWu, HOgawa, AKNolting, 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:
BDBM285972
Synonyms:
US10081617, Example 119 | methyl [4-(2-{3-[5-chloro-2- (1,2,3-thiadiazol-4-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.:
C27H21ClN6O4S
Mol. Mass.:
561.011
SMILES:
COC(=O)Nc1ccc(cc1)-c1c[nH]c(n1)C1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-c1csnn1
Structure:
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