Reaction Details |
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Target | Plasma kallikrein |
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Ligand | BDBM416784 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2134840 (CHEMBL4844450) |
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IC50 | 10.0±n/a nM |
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Citation | Kotian, PL; Wu, M; Vadlakonda, S; Chintareddy, V; Lu, P; Juarez, L; Kellogg-Yelder, D; Chen, X; Muppa, S; Chambers-Wilson, R; Davis Parker, C; Williams, J; Polach, KJ; Zhang, W; Raman, K; Babu, YS Berotralstat (BCX7353): Structure-Guided Design of a Potent, Selective, and Oral Plasma Kallikrein Inhibitor to Prevent Attacks of Hereditary Angioedema (HAE). J Med Chem64:12453-12468 (2021) [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 |
Synonyms: | Fletcher factor | KLK3 | KLKB1 | KLKB1_HUMAN | Kallikrein | Kininogenin | Plasma kallikrein heavy chain | Plasma kallikrein light chain | Plasma prekallikrein |
Type: | Protein |
Mol. Mass.: | 71391.16 |
Organism: | Homo sapiens (Human) |
Description: | P03952 |
Residue: | 638 |
Sequence: | MILFKQATYFISLFATVSCGCLTQLYENAFFRGGDVASMYTPNAQYCQMRCTFHPRCLLF
SFLPASSINDMEKRFGCFLKDSVTGTLPKVHRTGAVSGHSLKQCGHQISACHRDIYKGVD
MRGVNFNVSKVSSVEECQKRCTSNIRCQFFSYATQTFHKAEYRNNCLLKYSPGGTPTAIK
VLSNVESGFSLKPCALSEIGCHMNIFQHLAFSDVDVARVLTPDAFVCRTICTYHPNCLFF
TFYTNVWKIESQRNVCLLKTSESGTPSSSTPQENTISGYSLLTCKRTLPEPCHSKIYPGV
DFGGEELNVTFVKGVNVCQETCTKMIRCQFFTYSLLPEDCKEEKCKCFLRLSMDGSPTRI
AYGTQGSSGYSLRLCNTGDNSVCTTKTSTRIVGGTNSSWGEWPWQVSLQVKLTAQRHLCG
GSLIGHQWVLTAAHCFDGLPLQDVWRIYSGILNLSDITKDTPFSQIKEIIIHQNYKVSEG
NHDIALIKLQAPLNYTEFQKPICLPSKGDTSTIYTNCWVTGWGFSKEKGEIQNILQKVNI
PLVTNEECQKRYQDYKITQRMVCAGYKEGGKDACKGDSGGPLVCKHNGMWRLVGITSWGE
GCARREQPGVYTKVAEYMDWILEKTQSSDGKAQMQSPA
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BDBM416784 |
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n/a |
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Name | BDBM416784 |
Synonyms: | 1-(3-(aminomethyl)phenyl)-N-(5-((cyclopropylmethylamino)(pyridin-3-yl)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | US10329260, Compound 94b | US10633345, Compound 94b | US10689346, Compound 94b | US11203574, Compound 94b | US11230530, Compound 94b | US11685721, Compound 94b | US11708332, Compound 94b |
Type | Small organic molecule |
Emp. Form. | C28H26F4N6O |
Mol. Mass. | 538.5393 |
SMILES | NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccnc1)C(F)(F)F |
Structure |
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