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Target
Hormone-sensitive lipase
Ligand
BDBM50252969
Substrate
n/a
Meas. Tech.
ChEMBL_538751 (CHEMBL1024870)
IC50
2980±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:
BDBM50252969
Synonyms:
2-(benzylthio)-5-(2-hydroxyethyl)-6-p-tolylpyrimidin-4-ol | CHEMBL495495 | NCI-159878
Type:
Small organic molecule
Emp. Form.:
C20H20N2O2S
Mol. Mass.:
352.45
SMILES:
Cc1ccc(cc1)-c1nc(SCc2ccccc2)[nH]c(=O)c1CCO
Structure:
Search PDB for entries with ligand similarity: