Reaction Details |
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Target | Cysteine protease ATG4B |
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Ligand | BDBM4078 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1904754 (CHEMBL4407112) |
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IC50 | 3000±n/a nM |
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Citation | Quintana, M; Bilbao, A; Comas-Barceló, J; Bujons, J; Triola, G Identification of benzo[cd]indol-2(1H)-ones as novel Atg4B inhibitors via a structure-based virtual screening and a novel AlphaScreen assay. Eur J Med Chem178:648-666 (2019) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cysteine protease ATG4B |
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Name: | Cysteine protease ATG4B |
Synonyms: | APG4B | ATG4B | ATG4B_HUMAN | AUTL1 | KIAA0943 | cysteine protease ATG4B isoform a | hck |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 44279.79 |
Organism: | Homo sapiens (Human) |
Description: | gi_47132611 |
Residue: | 393 |
Sequence: | MDAATLTYDTLRFAEFEDFPETSEPVWILGRKYSIFTEKDEILSDVASRLWFTYRKNFPA
IGGTGPTSDTGWGCMLRCGQMIFAQALVCRHLGRDWRWTQRKRQPDSYFSVLNAFIDRKD
SYYSIHQIAQMGVGEGKSIGQWYGPNTVAQVLKKLAVFDTWSSLAVHIAMDNTVVMEEIR
RLCRTSVPCAGATAFPADSDRHCNGFPAGAEVTNRPSPWRPLVLLIPLRLGLTDINEAYV
ETLKHCFMMPQSLGVIGGKPNSAHYFIGYVGEELIYLDPHTTQPAVEPTDGCFIPDESFH
CQHPPCRMSIAELDPSIAVGFFCKTEDDFNDWCQQVKKLSLLGGALPMFELVELQPSHLA
CPDVLNLSLDSSDVERLERFFDSEDEDFEILSL
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BDBM4078 |
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n/a |
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Name | BDBM4078 |
Synonyms: | 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione | CHEMBL6246 | ELLAGIC ACID | Elagic Acid | Ellagic acid (18) | Ellagic acid dihydrate | MLS000069632 | SMR000058244 | cid_5281855 |
Type | Small organic molecule |
Emp. Form. | C14H6O8 |
Mol. Mass. | 302.1926 |
SMILES | Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O |
Structure |
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