Ki Summary

Reaction Details

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Target

Genome polyprotein

Ligand

BDBM50122891

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_143627 (CHEMBL751835)

600±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

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

BDBM50122891

n/a

Name

BDBM50122891

Synonyms:

4-(2-{2-[2-(4-Carboxy-2-isobutoxycarbonylamino-butyrylamino)-4-methyl-pentanoylamino]-4,4-difluoro-butyrylamino}-ethyl)-3-chloro-benzoic acid | CHEMBL326818

Type

Small organic molecule

Emp. Form.

C29H41ClF2N4O9

Mol. Mass.

663.107

SMILES

CC(C)COC(=O)NC(CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O

Structure