Reaction Details |
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Target | Hormone-sensitive lipase |
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Ligand | BDBM50138751 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_538751 (CHEMBL1024870) |
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IC50 | 4.41±n/a nM |
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Citation | Taha, MO; Dahabiyeh, LA; Bustanji, Y; Zalloum, H; Saleh, S Combining ligand-based pharmacophore modeling, quantitative structure-activity relationship analysis and in silico screening for the discovery of new potent hormone sensitive lipase inhibitors. J Med Chem51:6478-94 (2008) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Hormone-sensitive lipase |
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Name: | Hormone-sensitive lipase |
Synonyms: | Hormone-sensitive lipase | Hormone-sensitive lipase (HSL) | LIPS_RAT | Lipe |
Type: | Enzyme |
Mol. Mass.: | 116814.94 |
Organism: | Rattus norvegicus (Rat) |
Description: | P15304 |
Residue: | 1068 |
Sequence: | MKPRRPISFTREITAMEPSSTSVSRPEWRPEAQQTLTDYPGSRELQEFGIPQKQSLPNEA
TAQQGAEFQQEQGVQQSTLLQKLLTPLAFPVPQQSFPSHKVHSDQQEATSQNGPGAGKVH
TTQKELEHRDEHVGTAESGPAEPPPATEVEATSIAQAVSGPDKKLPTQTDLVSQERAEQS
DPTAQQTPLVQGVKSDQGSLIESGILARLQKLAIQQPSQEWKTFLDCVTESDMEKYLNSS
SKSNPPEPSGGTVIPGTLPSKQKPDCGKMSGYGGKLPHGKKGILQKHKHYWDTASAFSHS
MDLRTMTQSLVALAEDNMAFFSSQGPGETARRLSNVFAGVREQALGLEPTLGQLLGVAHH
FDLDTETPANGYRSLVHTARCCLAHLLHKSRYVASNRRSIFFRASHNLAELEAYLAALTQ
LRALAYYAQRLLTINRPGVLFFEGDEGLSADFLQDYVTLHKGCFYGRCLGFQFTPAIRPF
LQTLSIGLVSFGEHYKRNETGLSVTASSLFTGGRFAIDPELRGAEFERIIQNLDVHFWKA
FWNITEIEVLSSLANMASTTVRVSRLLSLPPEAFEMPLTSDPKLTVTISPPLAHTGPGPV
LARLISYDLREGQDSKMLNSLAKSEGPRLELRPRPQQAPRSRALVVHIHGGGFVAQTSKS
HEPYLKNWAQELGVPIISIDYSLAPEAPFPRALEECFFAYCWAVKHCELLGSTGERICLA
GDSAGGNLCITVSLRAAAYGVRVPDGIMAAYPVTTLQSSASPSRLLSLMDPLLPLSVLSK
CVSAYSGTETEDHFDSDQKALGVMGLVQRDTSLFLRDLRLGASSWLNSFLELSGRKPHKT
PLPATETLRPTDSGRLTESMRRSVSEAALAQPEGLLGTDSLKKLTIKDLSFKGNSEPSDS
PEMSQSMETLGPSTPSDVNFFLRSGNSQEEAETRDDISPMDGIPRVRAAFPDGFHPRRSS
QGVLHMPLYSSPIVKNPFMSPLLAPDVMLKTLPPVHLVACALDPMLDDSVMFARRLKDLG
QPVTLKVVEDLPHGFLSLAALCRETRQAAELCVQRIRLILTPPAAPLT
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BDBM50138751 |
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n/a |
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Name | BDBM50138751 |
Synonyms: | 5-Methylsulfanyl-3-(4-trifluoromethoxy-phenyl)-[1,2,4]triazole-1-carboxylic acid methyl-phenyl-amide | CHEMBL131051 | N-methyl-5-(methylthio)-N-phenyl-3-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole-1-carboxamide |
Type | Small organic molecule |
Emp. Form. | C18H15F3N4O2S |
Mol. Mass. | 408.398 |
SMILES | CSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(OC(F)(F)F)cc1 |
Structure |
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