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Ligand

NameCHEMBL1086170
Molecular formulaC19H34NO4P
IUPAC name[(3S)-3-amino-5-(4-heptoxyphenyl)-3-methylpentyl]phosphonic acid
Molecular weight371.458
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP0.9
SynonymsBDBM50313501
(S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentylphosphonic acid
Inchi KeyCKQNWRXINGQZFU-IBGZPJMESA-N
Inchi IDInChI=1S/C19H34NO4P/c1-3-4-5-6-7-15-24-18-10-8-17(9-11-18)12-13-19(2,20)14-16-25(21,22)23/h8-11H,3-7,12-16,20H2,1-2H3,(H2,21,22,23)/t19-/m0/s1
PubChem CID46881875
ChEMBLCHEMBL1086170
IUPHARN/A
BindingDB50313501
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
44331Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
44328Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
44330Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
44329Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
44327Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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