Reaction Details |
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Target | Genome polyprotein/Non-structural protein 4A |
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Ligand | BDBM50120049 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_79053 (CHEMBL877208) |
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Ki | 1200±n/a nM |
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Citation | Sperandio, D; Gangloff, AR; Litvak, J; Goldsmith, R; Hataye, JM; Wang, VR; Shelton, EJ; Elrod, K; Janc, JW; Clark, JM; Rice, K; Weinheimer, S; Yeung, KS; Meanwell, NA; Hernandez, D; Staab, AJ; Venables, BL; Spencer, JR Highly potent non-peptidic inhibitors of the HCV NS3/NS4A serine protease. Bioorg Med Chem Lett12:3129-33 (2002) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Genome polyprotein/Non-structural protein 4A |
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Name: | Genome polyprotein/Non-structural protein 4A |
Synonyms: | Hepatitis C virus serine protease, NS3/NS4A |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 1969955 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Non-structural protein 4A |
Synonyms: | Hepatitis C virus NS4A protein | Hepatitis C virus serine protease, NS3/NS4A | Non-structural protein 4A |
Type: | PROTEIN |
Mol. Mass.: | 5762.65 |
Organism: | Hepatitis C virus |
Description: | ChEMBL_305334 |
Residue: | 54 |
Sequence: | STWVLLGGVLAALAAYCLSVGCVVIVGYIELGGKPALVPDKEVCYQQYDEMEEC
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Component 2 |
Name: | Genome polyprotein |
Synonyms: | Hepatitis C virus NS3 protease/helicase | Hepatitis C virus serine protease, NS3/NS4A |
Type: | Protein |
Mol. Mass.: | 67067.41 |
Organism: | Hepatitis C virus |
Description: | A3EZI9 |
Residue: | 631 |
Sequence: | APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTAAQTFLATCINGVCWTVYHGAG
TRTIASSKGPVIQMYTNVDQDLVGWPAPQGARSLTPCTCGSSDLYLVTRHADVIPVRRRG
DGRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVEGLETTMR
SPVFSDNSSPPAVPQSYQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGA
YMSKAHGIDPNIRTGVRTITTGSPITYSTYGKFLADGGCSGGAYDIIICDECHSTDATSI
LGIGTVLDQAETAGARLTVLATATPPGSVTVPHPNIEEVALSTTGEIPFYGKAIPLEAIK
GGRHLIFCHSKKKCDELAAKLVALGVNAVAYYRGLDVSVIPASGDVVVVATDALMTGFTG
DFDSVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRFVTPGE
RPSGMFDSSVLCECYDAGCAWYELTPAETTVRLRAYMNTPGLPVCQDHLEFWEGVFTGLT
HIDAHFLSQTKQSGENLPYLVAYQATVCARAQAPPPSWDQMWKCLIRLKPTLHGPTPLLY
RLGAVQNEITLTHPITKYIMTCMSADLEVVT
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BDBM50120049 |
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n/a |
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Name | BDBM50120049 |
Synonyms: | 2-({2-[(6-Carbamoyl-1H-benzoimidazol-2-yl)-difluoro-methyl]-3-methyl-3H-benzoimidazole-5-carbonyl}-amino)-3-phosphono-propionic acid | CHEMBL419731 |
Type | Small organic molecule |
Emp. Form. | C21H19F2N6O7P |
Mol. Mass. | 536.3821 |
SMILES | Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccc(cc2[nH]1)C(N)=O |
Structure |
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