| Reaction Details |
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 | Report a problem with these data |
| Target | Plasma kallikrein |
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| Ligand | BDBM50136608 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2164415 (CHEMBL5049276) |
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| IC50 | 1450±n/a nM |
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| Citation |  Yao, N; Jia, Z; Tian, Y; Hou, S; Yang, X; Han, J; Duan, Y; Liao, C; Kong, Y; Xie, Z Targeting the S2 Subsite Enables the Structure-Based Discovery of Novel Highly Selective Factor XIa Inhibitors. J Med Chem65:4318-4334 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Plasma kallikrein |
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| Name: | Plasma kallikrein |
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| Synonyms: | Fletcher factor | KLK3 | KLKB1 | KLKB1_HUMAN | Kallikrein | Kininogenin | Plasma kallikrein heavy chain | Plasma kallikrein light chain | Plasma prekallikrein |
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| Type: | Protein |
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| Mol. Mass.: | 71391.16 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P03952 |
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| Residue: | 638 |
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| Sequence: | MILFKQATYFISLFATVSCGCLTQLYENAFFRGGDVASMYTPNAQYCQMRCTFHPRCLLF
SFLPASSINDMEKRFGCFLKDSVTGTLPKVHRTGAVSGHSLKQCGHQISACHRDIYKGVD
MRGVNFNVSKVSSVEECQKRCTSNIRCQFFSYATQTFHKAEYRNNCLLKYSPGGTPTAIK
VLSNVESGFSLKPCALSEIGCHMNIFQHLAFSDVDVARVLTPDAFVCRTICTYHPNCLFF
TFYTNVWKIESQRNVCLLKTSESGTPSSSTPQENTISGYSLLTCKRTLPEPCHSKIYPGV
DFGGEELNVTFVKGVNVCQETCTKMIRCQFFTYSLLPEDCKEEKCKCFLRLSMDGSPTRI
AYGTQGSSGYSLRLCNTGDNSVCTTKTSTRIVGGTNSSWGEWPWQVSLQVKLTAQRHLCG
GSLIGHQWVLTAAHCFDGLPLQDVWRIYSGILNLSDITKDTPFSQIKEIIIHQNYKVSEG
NHDIALIKLQAPLNYTEFQKPICLPSKGDTSTIYTNCWVTGWGFSKEKGEIQNILQKVNI
PLVTNEECQKRYQDYKITQRMVCAGYKEGGKDACKGDSGGPLVCKHNGMWRLVGITSWGE
GCARREQPGVYTKVAEYMDWILEKTQSSDGKAQMQSPA
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| BDBM50136608 |
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| n/a |
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| Name | BDBM50136608 |
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| Synonyms: | CHEMBL3754069 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H21ClN6O4 |
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| Mol. Mass. | 516.936 |
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| SMILES | OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r| |
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| Structure | 
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