Reaction Details |
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Target | Genome polyprotein |
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Ligand | BDBM50023507 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1452511 (CHEMBL3362860) |
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IC50 | 45±n/a nM |
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Citation | Parsy, C; Alexandre, FR; Brandt, G; Caillet, C; Cappelle, S; Chaves, D; Convard, T; Derock, M; Gloux, D; Griffon, Y; Lallos, L; Leroy, F; Liuzzi, M; Loi, AG; Moulat, L; Musiu, C; Rahali, H; Roques, V; Seifer, M; Standring, D; Surleraux, D Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease. Bioorg Med Chem Lett24:4444-9 (2014) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Genome polyprotein |
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Name: | Genome polyprotein |
Synonyms: | Nonstructural protein NS3-4A |
Type: | PROTEIN |
Mol. Mass.: | 71633.49 |
Organism: | Hepatitis C virus |
Description: | ChEMBL_109716 |
Residue: | 674 |
Sequence: | SPITAYSQQTRGLLGCIITSLTGRDKNQVEGEVQVVSTATQSFLATCVNGVCWTVFHGAG
SKTLAGPKGPITQMYTNVDQDLVGWMAPPGARSMTPCTCGSSDLYLVTRHADVIPVRRRG
DGRGSLLSPRPVSYLKGSSGGPLLCPSGHVVGIFRAAVCTRGVAKAVDFVPVESMETTMR
SPVFTDNSSPPAVPQTFQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGA
YMSKAGTDPNIRTGVRTITTGAPITYSTYGKFLADGGCSGGAYDIICDECHSTDSTTLGI
GTVLDQAETAGARLVVLATATPPGSTVPHPNIEEVALSTTGEIPFYGKAIPIETIKGGRH
LIFCHSKKKCDELAGKLSALGLNAVAYYRGLDVSVIPTSGDVVVVATDALMTGYTGDFDS
VIDCNTCVTQTVDFSLDPTFTIETTTVPQDAVSRSQRRGRTGRGRGIYRFVTPGERPSGM
FDSSVLCECYDAGCAWYELTPAETTRLRAYLNTPGLPVCQDHLEFWEGVFTGLTIDAHFL
SQTKQAGDNFPYLVAYQATVCARAQAPPPSWDQMWKCLRLKPTLHGPTPLLYRLGAVQNE
ITLTHPITKIMTCMSADLEVVTSTWVLVGGVLAALAAYCLTTGSVVIVGRIILSGRPAVP
DREVLYEFDEMEEC
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BDBM50023507 |
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n/a |
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Name | BDBM50023507 |
Synonyms: | CHEMBL3326538 |
Type | Small organic molecule |
Emp. Form. | C36H41N5O7S |
Mol. Mass. | 687.805 |
SMILES | [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4cc(OC)ccc34)-c3ccccc3)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1CC1 |r,c:45,@:7| |
Structure |
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