| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Genome polyprotein/Non-structural protein 4A |
|---|
| Ligand | BDBM103841 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1764525 (CHEMBL4199772) |
|---|
| Ki | 2.0±n/a nM |
|---|
| Citation |  Rusere, LN; Matthew, AN; Lockbaum, GJ; Jahangir, M; Newton, A; Petropoulos, CJ; Huang, W; Kurt Yilmaz, N; Schiffer, CA; Ali, A Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants. ACS Med Chem Lett9:691-696 (2018) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Genome polyprotein/Non-structural protein 4A |
|---|
| 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
|
|
|
|---|
| 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
|
|
|
|---|
| BDBM103841 |
|---|
| n/a |
|---|
| Name | BDBM103841 |
|---|
| Synonyms: | 5172-mcP1P3 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C37H50N6O9S |
|---|
| Mol. Mass. | 754.893 |
|---|
| SMILES | CCc1nc2ccc(OC)cc2nc1O[C@@H]1C[C@@H]2N(C1)C(=O)[C@H](CCCCC\C=C/[C@@H]1C[C@]1(NC2=O)C(=O)NS(=O)(=O)C1CC1)NC(=O)OC(C)(C)C |r,c:31| |
|---|
| Structure | 
|
|---|
Search and Browse
