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Ligand

NameCHEMBL2011712
Molecular formulaC19H20N4OS
IUPAC nameN-butyl-2-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
Molecular weight352.456
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50419942
Inchi KeyACERZXQPHJZKLO-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20N4OS/c1-3-4-12-23(18(24)16-10-6-5-8-14(16)2)19-22-21-17(25-19)15-9-7-11-20-13-15/h5-11,13H,3-4,12H2,1-2H3
PubChem CID70693631
ChEMBLCHEMBL2011712
IUPHARN/A
BindingDB50419942
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1486Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
1485Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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