Reaction Details |
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Target | Coagulation factor XI |
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Ligand | BDBM50269186 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1856603 (CHEMBL4357332) |
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Ki | 0.180000±n/a nM |
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Citation | Corte, JR; Pinto, DJP; Fang, T; Osuna, H; Yang, W; Wang, Y; Lai, A; Clark, CG; Sun, JH; Rampulla, R; Mathur, A; Kaspady, M; Neithnadka, PR; Li, YC; Rossi, KA; Myers, JE; Sheriff, S; Lou, Z; Harper, TW; Huang, C; Zheng, JJ; Bozarth, JM; Wu, Y; Wong, PC; Crain, EJ; Seiffert, DA; Luettgen, JM; Lam, PYS; Wexler, RR; Ewing, WR Potent, Orally Bioavailable, and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups. J Med Chem63:784-803 (2020) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Coagulation factor XI |
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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
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BDBM50269186 |
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n/a |
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Name | BDBM50269186 |
Synonyms: | CHEMBL4089185 |
Type | Small organic molecule |
Emp. Form. | C29H30ClN9O4 |
Mol. Mass. | 604.059 |
SMILES | CC[C@@H]1CCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2NC1=O |r| |
Structure |
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