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Ligand

NameBDBM65164
Molecular formulaC22H36NO4PS
IUPAC name[(1R,3S)-1-amino-3-[(6S)-6-(pentylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate
Molecular weight441.567
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP1.1
SynonymsUS9522888, 512
Inchi KeyABATVTGAIOTFKP-BULFRSBZSA-N
Inchi IDInChI=1S/C22H36NO4PS/c1-2-3-4-11-29-15-17-5-6-19-13-20(8-7-18(19)12-17)21-9-10-22(23,14-21)16-27-28(24,25)26/h7-8,13,17,21H,2-6,9-12,14-16,23H2,1H3,(H2,24,25,26)/t17-,21-,22+/m0/s1
PubChem CID131953652
ChEMBLN/A
IUPHARN/A
BindingDB65164
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
557325Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
557324Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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