Ki Summary

Reaction Details

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Target

Genome polyprotein

Ligand

BDBM50174451

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_320841 (CHEMBL871683)

160±n/a nM

Citation

Chen, KX; Njoroge, FG; Pichardo, J; Prongay, A; Butkiewicz, N; Yao, N; Madison, V; Girijavallabhan, V Design, synthesis, and biological activity of m-tyrosine-based 16- and 17-membered macrocyclic inhibitors of hepatitis C virus NS3 serine protease. J Med Chem48:6229-35 (2005) [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

BDBM50174451

n/a

Name

BDBM50174451

Synonyms:

(S)-(2-{3-[((11S,14S)-11-Cyclohexyl-9,12-dioxo-2-oxa-10,13-diaza-bicyclo[14.3.1]icosa-1(20),16,18-triene-14-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid | CHEMBL197120

Type

Small organic molecule

Emp. Form.

C40H53N5O9

Mol. Mass.

747.8769

SMILES

CCCC(NC(=O)[C@@H]1Cc2cccc(OCCCCCCC(=O)N[C@@H](C3CCCCC3)C(=O)N1)c2)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1

Structure