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Ligand

NameCHEMBL1916399
Molecular formulaC22H15F3N4O5
IUPAC name4-[5-[5-[3-cyano-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
Molecular weight472.38
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP3.2
SynonymsSCHEMBL4429194
BDBM50357764
Inchi KeyASJOLIPQCOYRPT-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
PubChem CID44517795
ChEMBLCHEMBL1916399
IUPHARN/A
BindingDB50357764
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13208Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
13209Sphingosine 1-phosphate receptor 1P48303S1pr1Rattus norvegicus (Rat)383
13214Sphingosine 1-phosphate receptor 1O08530S1pr1Mus musculus (Mouse)382
13211Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
13212Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
13213Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
13210Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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