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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	CHEMBL590069
Molecular formula	C37H52N6O8
IUPAC name	(4S)-4-[[4-[(3R)-3-[2-(diethylamino)-2-oxoethoxy]pyrrolidin-1-yl]-6-phenylpyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight	708.857
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	3.4
Synonyms	(S)-4-(4-((R)-3-(2-(diethylamino)-2-oxoethoxy)pyrrolidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid BDBM50306949
Inchi Key	BGINHWJOXRVALY-IHLOFXLRSA-N
Inchi ID	InChI=1S/C37H52N6O8/c1-4-7-11-22-50-37(49)42-20-18-41(19-21-42)36(48)30(14-15-34(45)46)39-35(47)32-24-28(23-31(38-32)27-12-9-8-10-13-27)43-17-16-29(25-43)51-26-33(44)40(5-2)6-3/h8-10,12-13,23-24,29-30H,4-7,11,14-22,25-26H2,1-3H3,(H,39,47)(H,45,46)/t29-,30+/m1/s1
PubChem CID	46232935
ChEMBL	CHEMBL590069
IUPHAR	N/A
BindingDB	50306949
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
23040	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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