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Ligand

NameCHEMBL515603
Molecular formulaC22H23N2O6P
IUPAC name[(2S)-2-amino-2-methyl-3-oxo-3-[4-(4-phenylphenoxy)anilino]propyl] dihydrogen phosphate
Molecular weight442.408
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP-0.5
SynonymsBDBM50249238
SCHEMBL14263186
(S)-2-amino-3-(4-(biphenyl-4-yloxy)phenylamino)-2-methyl-3-oxopropyl dihydrogen phosphate
Inchi KeyBPFTXGAARBAJDP-QFIPXVFZSA-N
Inchi IDInChI=1S/C22H23N2O6P/c1-22(23,15-29-31(26,27)28)21(25)24-18-9-13-20(14-10-18)30-19-11-7-17(8-12-19)16-5-3-2-4-6-16/h2-14H,15,23H2,1H3,(H,24,25)(H2,26,27,28)/t22-/m0/s1
PubChem CID11690779
ChEMBLCHEMBL515603
IUPHARN/A
BindingDB50249238
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29519Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
29517Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
29520Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
29518Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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