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Ligand

NameCHEMBL227851
Molecular formulaC18H31N2O4P
IUPAC name[(3R)-3-amino-4-(4-octylanilino)-4-oxobutyl]phosphonic acid
Molecular weight370.43
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP0.5
SynonymsBDBM50198834
[3-amino-3-(4-octylphenylcarbamoyl)propyl]-phosphonic acid
Inchi KeyCSAPJUDXEBTDJR-QGZVFWFLSA-N
Inchi IDInChI=1S/C18H31N2O4P/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(21)17(19)13-14-25(22,23)24/h9-12,17H,2-8,13-14,19H2,1H3,(H,20,21)(H2,22,23,24)/t17-/m1/s1
PubChem CID44422573
ChEMBLCHEMBL227851
IUPHARN/A
BindingDB50198834
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
49312Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
443648Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
49309Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
49311Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
49310Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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