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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL208838
Molecular formula	C25H25F2N3O3
IUPAC name	2-[(3R,5R)-5-[4-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-3-yl]acetic acid
Molecular weight	453.49
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	2.0
Synonyms	BDBM50185524 2-(trans-5-(4-(5-(4-((R)-3,3-difluorocyclopentyl)phenyl)-1,2,4-oxadiazol-3-yl)phenyl)pyrrolidin-3-yl)acetic acid
Inchi Key	BLLBAGSMDDITHA-IPHXSNPTSA-N
Inchi ID	InChI=1S/C25H25F2N3O3/c26-25(27)10-9-20(13-25)16-1-7-19(8-2-16)24-29-23(30-33-24)18-5-3-17(4-6-18)21-11-15(14-28-21)12-22(31)32/h1-8,15,20-21,28H,9-14H2,(H,31,32)/t15-,20-,21-/m1/s1
PubChem CID	44413349
ChEMBL	CHEMBL208838
IUPHAR	N/A
BindingDB	50185524
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
26759	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
26760	Sphingosine 1-phosphate receptor 2	O95136	S1PR2	Homo sapiens (Human)	353
26763	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378
26762	Sphingosine 1-phosphate receptor 4	O95977	S1PR4	Homo sapiens (Human)	384
26761	Sphingosine 1-phosphate receptor 5	Q9H228	S1PR5	Homo sapiens (Human)	398

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