Reaction Details |
| Report a problem with these data |
Target | Genome polyprotein |
---|
Ligand | BDBM50124044 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEBML_143487 |
---|
IC50 | 90±n/a nM |
---|
Citation | Glunz, PW; Douty, BD; Decicco, CP Design and synthesis of bicyclic pyrimidinone-based HCV NS3 protease inhibitors. Bioorg Med Chem Lett13:785-8 (2003) [PubMed] |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Genome polyprotein |
---|
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
|
|
|
BDBM50124044 |
---|
n/a |
---|
Name | BDBM50124044 |
Synonyms: | (S)-8-Methyl-8-[(3-methylsulfanyl-phenylcarbamoyl)-methyl]-4-oxo-3-(3-trifluoromethyl-benzylamino)-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid [(R)-1-((S)-6,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-propyl]-amide | CHEMBL355383 |
Type | Small organic molecule |
Emp. Form. | C39H47BF3N5O5S |
Mol. Mass. | 765.692 |
SMILES | CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2cccc(SC)c2)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C |
Structure |
|