| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Genome polyprotein/Non-structural protein 4A |
|---|
| Ligand | BDBM50096729 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_144673 (CHEMBL750632) |
|---|
| IC50 | 4±n/a nM |
|---|
| Citation |  Bennett, JM; Campbell, AD; Campbell, AJ; Carr, MG; Dunsdon, RM; Greening, JR; Hurst, DN; Jennings, NS; Jones, PS; Jordan, S; Kay, PB; O'Brien, MA; King-Underwood, J; Raynham, TM; Wilkinson, CS; Wilkinson, TC; Wilson, FX The identification of alpha-ketoamides as potent inhibitors of hepatitis C virus NS3-4A proteinase. Bioorg Med Chem Lett11:355-7 (2001) [PubMed] |
|---|
| 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
|
|
|
|---|
| BDBM50096729 |
|---|
| n/a |
|---|
| Name | BDBM50096729 |
|---|
| Synonyms: | (S)-4-((S)-1-{(S)-1-[(S)-1-((R)-1-Benzylaminooxalyl-3,3,3-trifluoro-propylcarbamoyl)-3-methyl-butylcarbamoyl]-2,2-dimethyl-propylcarbamoyl}-2-o-tolyl-ethylcarbamoyl)-4-[(S)-3-carboxy-2-(3-carboxy-propionylamino)-propionylamino]-butyric acid | CHEMBL262654 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C47H62F3N7O14 |
|---|
| Mol. Mass. | 1006.0289 |
|---|
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)N[C@H](CC(F)(F)F)C(=O)C(=O)NCc1ccccc1 |
|---|
| Structure | 
|
|---|
Search and Browse
