Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM298343
Substrate
n/a
Meas. Tech.
Factor XIa Assay
IC50
>870±n/a nM
Citation
 Mertz, E; Liu, W; Edmondson, SD; Ali, A; Gao, Y; Neelamkavil, SF; So, S; Moningka, R; Sun, W; Hruza, A; Brockunier, LL Factor XIa inhibitors US Patent  US10123995 Publication Date 11/13/2018 
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:
BDBM298343
Synonyms:
7-((4-carboxyphenyl)carbamoyl)-3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-7-(cyclopropylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine 1-oxide (Example 21 and 22) | US10123995, Example 21 | US10123995, Example 22
Type:
Small organic molecule
Emp. Form.:
C31H31ClN6O4
Mol. Mass.:
587.069
SMILES:
CC(C)(C)OC(=O)c1ccc(NC(=O)C2(CC3CC3)CCc3cc(c[n+]([O-])c23)-c2cc(Cl)ccc2-n2cnnn2)cc1
Structure:
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