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Ligand

NameCHEMBL377828
Molecular formulaC26H29N3O3
IUPAC name2-[(3R,5R)-5-[4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-3-yl]acetic acid
Molecular weight431.536
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.0
SynonymsSCHEMBL3496548
BDBM50185526
2-(trans-5-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl)phenyl)pyrrolidin-3-yl)acetic acid
Inchi KeyAEINVRKYWDZAKS-UZUQRXQVSA-N
Inchi IDInChI=1S/C26H29N3O3/c30-24(31)15-17-14-23(27-16-17)20-8-10-21(11-9-20)25-28-26(32-29-25)22-12-6-19(7-13-22)18-4-2-1-3-5-18/h6-13,17-18,23,27H,1-5,14-16H2,(H,30,31)/t17-,23-/m1/s1
PubChem CID44413447
ChEMBLCHEMBL377828
IUPHARN/A
BindingDB50185526
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
3500Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
3497Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
3499Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
3498Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
3501Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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