Reaction Details |
| Report a problem with these data |
Target | Genome polyprotein/Non-structural protein 4A |
---|
Ligand | BDBM50122879 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_158776 (CHEMBL772933) |
---|
IC50 | 6500±n/a nM |
---|
Citation | Colarusso, S; Koch, U; Gerlach, B; Steinkühler, C; De Francesco, R; Altamura, S; Matassa, VG; Narjes, F Phenethyl amides as novel noncovalent inhibitors of hepatitis C virus NS3/4A protease: discovery, initial SAR, and molecular modeling. J Med Chem46:345-8 (2003) [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
|
|
|
BDBM50122879 |
---|
n/a |
---|
Name | BDBM50122879 |
Synonyms: | 4-tert-Butoxycarbonylamino-4-(1-{1-[2-(2-chloro-phenyl)-ethylcarbamoyl]-2-mercapto-ethylcarbamoyl}-3-methyl-butylcarbamoyl)-butyric acid | CHEMBL116399 |
Type | Small organic molecule |
Emp. Form. | C27H41ClN4O7S |
Mol. Mass. | 601.155 |
SMILES | CC(C)C[C@H](NC(=O)C(CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CS)C(=O)NCCc1ccccc1Cl |
Structure |
|