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Ligand

NameCHEMBL378061
Molecular formulaC24H27N3O3
IUPAC name2-[(3S,5R)-5-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-3-yl]acetic acid
Molecular weight405.498
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.1
SynonymsBDBM50185531
SCHEMBL3497459
2-(cis-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl)phenyl)pyrrolidin-3-yl)acetic acid
Inchi KeyDOAHOEVWZUKZMM-LAUBAEHRSA-N
Inchi IDInChI=1S/C24H27N3O3/c1-15(2)11-16-3-5-20(6-4-16)24-26-23(27-30-24)19-9-7-18(8-10-19)21-12-17(14-25-21)13-22(28)29/h3-10,15,17,21,25H,11-14H2,1-2H3,(H,28,29)/t17-,21+/m0/s1
PubChem CID44413430
ChEMBLCHEMBL378061
IUPHARN/A
BindingDB50185531
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
64838Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
64840Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
64836Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
64837Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
64839Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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