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Ligand

NameSR-01000051804-2
Molecular formulaC19H19N3OS
IUPAC name1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-pyrimidin-2-ylsulfanylethanone
Molecular weight337.441
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM41741
SR-01000051804-1
1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(2-pyrimidylthio)ethanone
cid_2100427
ZINC2637647
[ Show all ]
Inchi KeyAGKOKHVKNMPUPG-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19N3OS/c1-14-11-17(18(23)13-24-19-20-9-6-10-21-19)15(2)22(14)12-16-7-4-3-5-8-16/h3-11H,12-13H2,1-2H3
PubChem CID2100427
ChEMBLCHEMBL1472755
IUPHARN/A
BindingDB41741
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
4963Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353

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