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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	CHEMBL585306
Molecular formula	C25H30N6O5S
IUPAC name	3-[[6-ethyl-4-[4-(3-phenoxypropanoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]carbamoylamino]propanoic acid
Molecular weight	526.612
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	2.6
Synonyms	BDBM50302438 3-(3-(6-ethyl-4-(4-(3-phenoxypropanoyl)piperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl)ureido)propanoic acid
Inchi Key	AHEBWSLJMXSMMY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H30N6O5S/c1-2-18-16-19-22(27-24(28-23(19)37-18)29-25(35)26-10-8-21(33)34)31-13-11-30(12-14-31)20(32)9-15-36-17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3,(H,33,34)(H2,26,27,28,29,35)
PubChem CID	45487790
ChEMBL	CHEMBL585306
IUPHAR	N/A
BindingDB	50302438
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
5466	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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