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Ligand

NameCHEMBL224799
Molecular formulaC24H22F3NO3S
IUPAC name1-[[4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid
Molecular weight461.499
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50158339
SCHEMBL6182824
1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)methoxy)benzyl)pyrrolidine-3-carboxylic acid
Inchi KeyBPANWCJVYBGZFM-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22F3NO3S/c25-24(26,27)22-21(17-4-2-1-3-5-17)12-20(32-22)15-31-19-8-6-16(7-9-19)13-28-11-10-18(14-28)23(29)30/h1-9,12,18H,10-11,13-15H2,(H,29,30)
PubChem CID10195325
ChEMBLCHEMBL224799
IUPHARN/A
BindingDB50158339
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
29342Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
29344Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
29345Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
29346Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
29343Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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