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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	CHEMBL3771073
Molecular formula	C22H24N6O3S
IUPAC name	4-[2-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butanoic acid
Molecular weight	452.533
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	0.3
Synonyms	BDBM50149571 SCHEMBL2122132 AJQXCRUBFZGHDL-UHFFFAOYSA-N 4-[2-(5-{3-Cyano-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]butanoic acid
Inchi Key	AJQXCRUBFZGHDL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24N6O3S/c1-14(2)31-19-6-5-15(10-16(19)11-23)21-24-25-22(32-21)28-13-17-12-27(8-3-4-20(29)30)9-7-18(17)26-28/h5-6,10,13-14H,3-4,7-9,12H2,1-2H3,(H,29,30)
PubChem CID	49848561
ChEMBL	CHEMBL3771073
IUPHAR	N/A
BindingDB	50149571
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
521657	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
521656	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378

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