| Reaction Details |
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 | Report a problem with these data |
| Target | Genome polyprotein/Non-structural protein 4A |
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| Ligand | BDBM50110122 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_143774 (CHEMBL750247) |
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| Ki | 1.5±n/a nM |
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| Citation |  Narjes, F; Koehler, KF; Koch, U; Gerlach, B; Colarusso, S; Steinkühler, C; Brunetti, M; Altamura, S; De Francesco, R; Matassa, VG A designed P1 cysteine mimetic for covalent and non-covalent inhibitors of HCV NS3 protease. Bioorg Med Chem Lett12:701-4 (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 |
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| Synonyms: | Hepatitis C virus serine protease, NS3/NS4A |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 1969955 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Non-structural protein 4A |
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| Synonyms: | Hepatitis C virus NS4A protein | Hepatitis C virus serine protease, NS3/NS4A | Non-structural protein 4A |
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| Type: | PROTEIN |
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| Mol. Mass.: | 5762.65 |
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| Organism: | Hepatitis C virus |
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| Description: | ChEMBL_305334 |
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| Residue: | 54 |
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| Sequence: | STWVLLGGVLAALAAYCLSVGCVVIVGYIELGGKPALVPDKEVCYQQYDEMEEC
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| Component 2 |
| Name: | Genome polyprotein |
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| Synonyms: | Hepatitis C virus NS3 protease/helicase | Hepatitis C virus serine protease, NS3/NS4A |
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| Type: | Protein |
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| Mol. Mass.: | 67067.41 |
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| Organism: | Hepatitis C virus |
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| Description: | A3EZI9 |
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| Residue: | 631 |
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| Sequence: | APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTAAQTFLATCINGVCWTVYHGAG
TRTIASSKGPVIQMYTNVDQDLVGWPAPQGARSLTPCTCGSSDLYLVTRHADVIPVRRRG
DGRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVEGLETTMR
SPVFSDNSSPPAVPQSYQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGA
YMSKAHGIDPNIRTGVRTITTGSPITYSTYGKFLADGGCSGGAYDIIICDECHSTDATSI
LGIGTVLDQAETAGARLTVLATATPPGSVTVPHPNIEEVALSTTGEIPFYGKAIPLEAIK
GGRHLIFCHSKKKCDELAAKLVALGVNAVAYYRGLDVSVIPASGDVVVVATDALMTGFTG
DFDSVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRFVTPGE
RPSGMFDSSVLCECYDAGCAWYELTPAETTVRLRAYMNTPGLPVCQDHLEFWEGVFTGLT
HIDAHFLSQTKQSGENLPYLVAYQATVCARAQAPPPSWDQMWKCLIRLKPTLHGPTPLLY
RLGAVQNEITLTHPITKYIMTCMSADLEVVT
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| BDBM50110122 |
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| n/a |
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| Name | BDBM50110122 |
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| Synonyms: | (S)-4-((S)-2-Acetylamino-3-carboxy-propionylamino)-4-((S)-1-{(S)-1-[(S)-1-((S)-1-benzylaminooxalyl-3,3-difluoro-propylcarbamoyl)-2-cyclohexyl-ethylcarbamoyl]-3-carboxy-propylcarbamoyl}-2,2-diphenyl-ethylcarbamoyl)-butyric acid | 4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{1-[1-(1-benzylaminooxalyl-3,3-difluoro-propylcarbamoyl)-2-cyclohexyl-ethylcarbamoyl]-3-methoxycarbonyl-propylcarbamoyl}-2,2-diphenyl-ethylcarbamoyl)-butyric acid | CHEMBL406457 |
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| Type | Small organic molecule |
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| Emp. Form. | C52H63F2N7O14 |
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| Mol. Mass. | 1048.0919 |
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| SMILES | CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)NCc1ccccc1 |
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| Structure | 
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