Ki Summary

Reaction Details

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Target

Genome polyprotein

Ligand

BDBM50336504

Substrate/Competitor

n/a

Meas. Tech.

Enzymatic Assay

0.5±n/a nM

Citation

Simmen, KA; De Kock, HA; Raboisson, PJ; Hu, L; Tahri, A; Surleraux, DL; Nilsson, KM; Samuelsson, BB; Rosenquist, AA; Ivanov, V; Pelcman, M; Belfrage, AK; Johansson, PM; Vendeville, SM Macrocyclic inhibitors of hepatitis C virus US Patent US8754106 Publication Date 6/17/2014

More Info.:

Get all data from this article, Assay Method

Genome polyprotein

Name:

Genome polyprotein

Synonyms:

NS3/4A protein

Type:

Enzyme

Mol. Mass.:

73007.91

Organism:

Hepatitis C virus

Description:

B0B3F0

Residue:

685

Sequence:

APITAYAQQTRGLLGTIVTSLTGRDKNVVTGEVQVLSTTTQTFLGTTVGGVMWTVYHGAG
SRTLAGAKHPALQMYTNVDQDLVGWPAPPGAKSLELCTCGSADLYLVTRDADVIPARRRG
DSTASLLSPRPLACLKGSSGGPVMCPSGHVAGIFRAAVCTRGVAKALQFIPVETLSTQAR
SPSFSDNSTPPAVPQSYQVGYLHAPTGSGKSTKVPAAYVAQGYNVLVLNPSVAATLGFGS
YMSRAHGIDPNIRTGNRTVTTGAKLTYSTYGKFLADGGCSGGAYDVIICDECHAQDATSI
LGIGTVLDQAETAGVRLTVLATATPPGSITVPHSNIEEVALGSEGGIPFYGKAIPIAQLE
GGRHLIFCHSRKKCDELASKLRGMGLNAVAYYRGLDVSVIPTVGDVVVCATDALMTGFTG
DFDSVIDCNVAVEQYVDFSLDPTFSIETRTAPQDAVSRSQRRGRTGRGRPSTYRYVTPGE
RPSGMFDSVVLCECYDAGCSWYDLQPAETTVRLRAYLSTPGLPVWQDHLDFWESVFTGLT
HIDAHFLSQTKQQGLNFSYLTAYQATVCARAQAPPPSWDEMWKCLVRLKPTLHGPTPLLY
RLGPIQNEICLTHPITKYIMACMSADLEVTTSTWVLLGGVLAALAAYCLSVGCVVIVGHI
ELGGKPALVPDKEVLYQQYDEMEEC

BDBM50336504

n/a

Name

BDBM50336504

Synonyms:

(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide | (2R,3aR,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-(2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yloxy)-5-methyl-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,12a,13,14,14a-hexadecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a-carboxamide | (2R,3aR,11aS,12aR,14aR,Z)-N-(cyclopropylsulfonyl)-2-(2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yloxy)-5-methyl-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,12a,13,14,14a-hexadecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a-carboxamide | CHEMBL501849 | N-[17-[2-(4-isopropylthiazole-2-yl)-7-methoxy-8-methylquinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo [13.3.0.0'4,6]octadec-7-ene-4-carbonyl](cyclopropyl)sulfonamide | US8741926, 47 | US8754106, 47

Type

Small organic molecule

Emp. Form.

C38H47N5O7S2

Mol. Mass.

749.939

SMILES

COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:22|

Structure