Reaction Details |
| Report a problem with these data |
Target | Coagulation factor XI |
---|
Ligand | BDBM50525778 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1898062 (CHEMBL4400097) |
---|
Ki | 333±n/a nM |
---|
Citation | Clark, CG; Rossi, KA; Corte, JR; Fang, T; Smallheer, JM; De Lucca, I; Nirschl, DS; Orwat, MJ; Pinto, DJP; Hu, Z; Wang, Y; Yang, W; Jeon, Y; Ewing, WR; Myers, JE; Sheriff, S; Lou, Z; Bozarth, JM; Wu, Y; Rendina, A; Harper, T; Zheng, J; Xin, B; Xiang, Q; Luettgen, JM; Seiffert, DA; Wexler, RR; Lam, PYS Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability. Bioorg Med Chem Lett29:0 (2019) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Coagulation factor XI |
---|
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: | MIFLYQVVHFILFTSVSGECVTQLLKDTCFEGGDITTVFTPSAKYCQVVCTYHPRCLLFT
FTAESPSEDPTRWFTCVLKDSVTETLPRVNRTAAISGYSFKQCSHQISACNKDIYVDLDM
KGINYNSSVAKSAQECQERCTDDVHCHFFTYATRQFPSLEHRNICLLKHTQTGTPTRITK
LDKVVSGFSLKSCALSNLACIRDIFPNTVFADSNIDSVMAPDAFVCGRICTHHPGCLFFT
FFSQEWPKESQRNLCLLKTSESGLPSTRIKKSKALSGFSLQSCRHSIPVFCHSSFYHDTD
FLGEELDIVAAKSHEACQKLCTNAVRCQFFTYTPAQASCNEGKGKCYLKLSSNGSPTKIL
HGRGGISGYTLRLCKMDNECTTKIKPRIVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSI
IGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYD
IALLKLETTVNYTDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLV
TNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCA
QRERPGVYTNVVEYVDWILEKTQAV
|
|
|
BDBM50525778 |
---|
n/a |
---|
Name | BDBM50525778 |
Synonyms: | CHEMBL4558196 |
Type | Small organic molecule |
Emp. Form. | C28H29ClN6O4 |
Mol. Mass. | 549.021 |
SMILES | COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CCN(CC1=O)c1cccc(Cl)c1 |r,t:17| |
Structure |
|