Reaction Details |
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Target | Genome polyprotein |
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Ligand | BDBM50171303 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_303746 (CHEMBL829789) |
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Ki | 12000±n/a nM |
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Citation | Venkatraman, S; Njoroge, FG; Girijavallabhan, VM; Madison, VS; Yao, NH; Prongay, AJ; Butkiewicz, N; Pichardo, J Design and synthesis of depeptidized macrocyclic inhibitors of hepatitis C NS3-4A protease using structure-based drug design. J Med Chem48:5088-91 (2005) [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: | 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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BDBM50171303 |
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n/a |
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Name | BDBM50171303 |
Synonyms: | CHEMBL370096 | {3-[((9S,12S,15S)-15-tert-Butoxycarbonylamino-12-cyclohexyl-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[15.2.2.1*3,7*]docosa-1(20),3(22),4,6,17(21),18-hexaene-9-carbonyl)-amino]-2-oxo-hexanoylamino}-acetic acid |
Type | Small organic molecule |
Emp. Form. | C39H51N5O10 |
Mol. Mass. | 749.8497 |
SMILES | CCC[C@H](NC(=O)[C@@H]1Cc2cccc(Oc3ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C4CCCCC4)C(=O)N1)cc3)c2)C(=O)C(=O)NCC(O)=O |
Structure |
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