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Ligand

NameBDBM65291
Molecular formulaC25H33FNO5P
IUPAC name[(1S,3R)-1-amino-3-[(6R)-6-[2-(2-fluoro-6-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate
Molecular weight477.513
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP1.4
SynonymsUS9522888, 607
Inchi KeyAAQPHAKRTFSDKT-ZIYZLLSTSA-N
Inchi IDInChI=1S/C25H33FNO5P/c1-31-24-4-2-3-23(26)22(24)10-6-17-5-7-19-14-20(9-8-18(19)13-17)21-11-12-25(27,15-21)16-32-33(28,29)30/h2-4,8-9,14,17,21H,5-7,10-13,15-16,27H2,1H3,(H2,28,29,30)/t17-,21-,25+/m1/s1
PubChem CID131953739
ChEMBLN/A
IUPHARN/A
BindingDB65291
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
557318Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
557317Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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