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Ligand

NameBDBM65133
Molecular formulaC26H37N2O5P
IUPAC name[(1R,3S)-1-amino-3-[(6R)-6-[[3-[(dimethylamino)methyl]phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate
Molecular weight488.565
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP0.1
SynonymsUS9522888, 490
Inchi KeyAOCJRMXPEZWXNP-UGIARPQZSA-N
Inchi IDInChI=1S/C26H37N2O5P/c1-28(2)16-19-4-3-5-25(13-19)32-17-20-6-7-22-14-23(9-8-21(22)12-20)24-10-11-26(27,15-24)18-33-34(29,30)31/h3-5,8-9,13-14,20,24H,6-7,10-12,15-18,27H2,1-2H3,(H2,29,30,31)/t20-,24+,26-/m1/s1
PubChem CID131953631
ChEMBLN/A
IUPHARN/A
BindingDB65133
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
557574Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
557573Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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