Ki Summary

Reaction Details

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Target

Genome polyprotein

Ligand

BDBM50157525

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_429987 (CHEMBL917717)

IC50

69000±n/a nM

Citation

Ontoria, JM; Di Marco, S; Conte, I; Di Francesco, ME; Gardelli, C; Koch, U; Matassa, VG; Poma, M; Steinkühler, C; Volpari, C; Harper, S The design and enzyme-bound crystal structure of indoline based peptidomimetic inhibitors of hepatitis C virus NS3 protease. J Med Chem47:6443-6 (2004) [PubMed] Article

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

BDBM50157525

n/a

Name

BDBM50157525

Synonyms:

3-({N-[(2-cyclohexyl-2,3-dihydro-1H-indol-2-yl)carbonyl]-L-leucyl}amino)-5,5-difluoro-2-oxopentanoic acid | 3-({N-[(2-cyclohexyl-l-2,3-dihydro-1H-indol-2-yl)carbonyl]-L-leucyl}amino)-5,5-difluoro-2-oxopentanoic acid | CHEMBL225245

Type

Small organic molecule

Emp. Form.

C26H35F2N3O5

Mol. Mass.

507.57

SMILES

CC(C)C[C@H](NC(=O)C1(Cc2ccccc2N1)C1CCCCC1)C(=O)NC(CC(F)F)C(=O)C(O)=O |r|

Structure