| Reaction Details |
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 | Report a problem with these data |
| Target | Genome polyprotein/Non-structural protein 4A |
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| Ligand | BDBM50144357 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_303666 (CHEMBL830427) |
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| Ki | 1200±n/a nM |
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| Citation |  Malancona, S; Colarusso, S; Ontoria, JM; Marchetti, A; Poma, M; Stansfield, I; Laufer, R; Di Marco, A; Taliani, M; Verdirame, M; Gonzalez-Paz, O; Matassa, VG; Narjes, F SAR and pharmacokinetic studies on phenethylamide inhibitors of the hepatitis C virus NS3/NS4A serine protease. Bioorg Med Chem Lett14:4575-9 (2004) [PubMed] Article |
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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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| BDBM50144357 |
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| n/a |
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| Name | BDBM50144357 |
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| Synonyms: | 3-Chloro-4-(2-{(S)-4,4-difluoro-2-[(S)-2-((S)-2-isobutoxycarbonylamino-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-butyrylamino}-ethyl)-benzoic acid | 3-Chloro-4-[2-(4,4-difluoro-2-{(S)-(S)-2-[2-((S)-isobutoxycarbonylamino)-3-methyl-butyrylamino]-4-methyl-pentanoylamino}-butyrylamino)-ethyl]-benzoic acid | CHEMBL68035 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H43ClF2N4O7 |
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| Mol. Mass. | 633.124 |
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| SMILES | CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O |
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| Structure | 
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