Reaction Details |
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Target | Neutrophil elastase |
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Ligand | BDBM50583309 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2156971 (CHEMBL5041631) |
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IC50 | 0.034000±n/a nM |
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Citation | Cui, Y; Zhang, M; Xu, H; Zhang, T; Zhang, S; Zhao, X; Jiang, P; Li, J; Ye, B; Sun, Y; Wang, M; Deng, Y; Meng, Q; Liu, Y; Fu, Q; Lin, J; Wang, L; Chen, Y Elastase Inhibitor Cyclotheonellazole A: Total Synthesis and In Vivo Biological Evaluation for Acute Lung Injury. J Med Chem65:2971-2987 (2022) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Neutrophil elastase |
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Name: | Neutrophil elastase |
Synonyms: | Bone marrow serine protease | Chymotrypsin | Coagulation factor X | ELA2 | ELANE | ELNE_HUMAN | Elastase | Elastase-2 | HLE | Human leukocyte elastase | Leukocyte elastase | Leukocyte elastase (HLE) | Medullasin | Neutrophil elastase | Neutrophil elastase (HNE) | Neutrophil elastase (NE) | PMN elastase | Thrombin | Trypsin |
Type: | Enzyme |
Mol. Mass.: | 28532.38 |
Organism: | Homo sapiens (Human) |
Description: | P08246 |
Residue: | 267 |
Sequence: | MTLGRRLACLFLACVLPALLLGGTALASEIVGGRRARPHAWPFMVSLQLRGGHFCGATLI
APNFVMSAAHCVANVNVRAVRVVLGAHNLSRREPTRQVFAVQRIFENGYDPVNLLNDIVI
LQLNGSATINANVQVAQLPAQGRRLGNGVQCLAMGWGLLGRNRGIASVLQELNVTVVTSL
CRRSNVCTLVRGRQAGVCFGDSGSPLVCNGLIHGIASFVRGGCASGLYPDAFAPVAQFVN
WIDSIIQRSEDNPCPHPRDPDPASRTH
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BDBM50583309 |
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n/a |
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Name | BDBM50583309 |
Synonyms: | CHEMBL4204851 |
Type | Small organic molecule |
Emp. Form. | C44H54N9NaO14S2 |
Mol. Mass. | 1020.071 |
SMILES | [Na;v0+].[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]S([#8-])(=O)=O)-[#7]-[#6](=O)\[#6]=[#6]\c2csc(n2)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6](=O)-[#6@@H](-[#7]-[#6]-1=O)-[#6@@H](-[#6])-[#6]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1ccc(-[#8])cc1 |r,t:21| |
Structure |
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