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Ligand

NameCHEMBL3797486
Molecular formulaC27H36N4O6
IUPAC nameN-[(2S)-3-[2-ethyl-4-[5-(6-methoxy-4-pentan-3-ylpyridin-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
Molecular weight512.607
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP4.1
SynonymsBDBM50164811
Inchi KeyAIXCEJHOVYYGTB-NRFANRHFSA-N
Inchi IDInChI=1S/C27H36N4O6/c1-6-17(7-2)19-11-22(29-24(12-19)35-5)27-30-26(31-37-27)20-9-16(4)25(18(8-3)10-20)36-15-21(33)13-28-23(34)14-32/h9-12,17,21,32-33H,6-8,13-15H2,1-5H3,(H,28,34)/t21-/m0/s1
PubChem CID127046400
ChEMBLCHEMBL3797486
IUPHARN/A
BindingDB50164811
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
521639Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
521640Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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