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Ligand

NameCHEMBL226612
Molecular formulaC20H34FN2O5P
IUPAC name[(3R)-3-amino-4-(4-decylanilino)-1-fluoro-4-oxobutyl] dihydrogen phosphate
Molecular weight432.473
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP2.2
SynonymsBDBM50198835
[3-amino-3-(4-decylphenylcarbamoyl)-2-fluoropropyl]-phosphonic acid
Inchi KeyAOBJVCONKJVQNW-MRTLOADZSA-N
Inchi IDInChI=1S/C20H34FN2O5P/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)23-20(24)18(22)15-19(21)28-29(25,26)27/h11-14,18-19H,2-10,15,22H2,1H3,(H,23,24)(H2,25,26,27)/t18-,19?/m1/s1
PubChem CID44422604
ChEMBLCHEMBL226612
IUPHARN/A
BindingDB50198835
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
10102Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
10100Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
10099Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
10098Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
10101Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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