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Target
Hormone-sensitive lipase
Ligand
BDBM50138737
Substrate
n/a
Meas. Tech.
ChEMBL_538751 (CHEMBL1024870)
IC50
3±n/a nM
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 Chem 51:6478-94 (2008) [PubMed]  Article 
Target
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:
MKPRRPISFTREITAMEPSSTSVSRPEWRPEAQQTLTDYPGSRELQEFGIPQKQSLPNEATAQQGAEFQQEQGVQQSTLLQKLLTPLAFPVPQQSFPSHKVHSDQQEATSQNGPGAGKVHTTQKELEHRDEHVGTAESGPAEPPPATEVEATSIAQAVSGPDKKLPTQTDLVSQERAEQSDPTAQQTPLVQGVKSDQGSLIESGILARLQKLAIQQPSQEWKTFLDCVTESDMEKYLNSSSKSNPPEPSGGTVIPGTLPSKQKPDCGKMSGYGGKLPHGKKGILQKHKHYWDTASAFSHSMDLRTMTQSLVALAEDNMAFFSSQGPGETARRLSNVFAGVREQALGLEPTLGQLLGVAHHFDLDTETPANGYRSLVHTARCCLAHLLHKSRYVASNRRSIFFRASHNLAELEAYLAALTQLRALAYYAQRLLTINRPGVLFFEGDEGLSADFLQDYVTLHKGCFYGRCLGFQFTPAIRPFLQTLSIGLVSFGEHYKRNETGLSVTASSLFTGGRFAIDPELRGAEFERIIQNLDVHFWKAFWNITEIEVLSSLANMASTTVRVSRLLSLPPEAFEMPLTSDPKLTVTISPPLAHTGPGPVLARLISYDLREGQDSKMLNSLAKSEGPRLELRPRPQQAPRSRALVVHIHGGGFVAQTSKSHEPYLKNWAQELGVPIISIDYSLAPEAPFPRALEECFFAYCWAVKHCELLGSTGERICLAGDSAGGNLCITVSLRAAAYGVRVPDGIMAAYPVTTLQSSASPSRLLSLMDPLLPLSVLSKCVSAYSGTETEDHFDSDQKALGVMGLVQRDTSLFLRDLRLGASSWLNSFLELSGRKPHKTPLPATETLRPTDSGRLTESMRRSVSEAALAQPEGLLGTDSLKKLTIKDLSFKGNSEPSDSPEMSQSMETLGPSTPSDVNFFLRSGNSQEEAETRDDISPMDGIPRVRAAFPDGFHPRRSSQGVLHMPLYSSPIVKNPFMSPLLAPDVMLKTLPPVHLVACALDPMLDDSVMFARRLKDLGQPVTLKVVEDLPHGFLSLAALCRETRQAAELCVQRIRLILTPPAAPLT
  
Inhibitor
Name:
BDBM50138737
Synonyms:
3-(4-Chloro-phenyl)-5-(2,2,2-trifluoro-ethylsulfanyl)-[1,2,4]triazole-1-carboxylic acid methyl-phenyl-amide | 3-(4-chlorophenyl)-N-methyl-N-phenyl-5-(2,2,2-trifluoroethylthio)-1H-1,2,4-triazole-1-carboxamide | CHEMBL131588
Type:
Small organic molecule
Emp. Form.:
C18H14ClF3N4OS
Mol. Mass.:
426.843
SMILES:
CN(C(=O)n1nc(nc1SCC(F)(F)F)-c1ccc(Cl)cc1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: