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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	CHEMBL596939
Molecular formula	C28H36N4O8
IUPAC name	(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(3-methoxypropoxy)-6-phenylpyridine-2-carbonyl]amino]-5-oxopentanoic acid
Molecular weight	556.616
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	1.8
Synonyms	(4S)5-[4-(Ethoxycarbonyl)iperazin-1-yl]-4-({[4-(3-methoxypropoxy)6-phenylpyridin-2-yl]carbonyl}amino)5-oxopentanoicAcid BDBM50307595
Inchi Key	ALRIXYXQZNUOPH-QFIPXVFZSA-N
Inchi ID	InChI=1S/C28H36N4O8/c1-3-39-28(37)32-14-12-31(13-15-32)27(36)22(10-11-25(33)34)30-26(35)24-19-21(40-17-7-16-38-2)18-23(29-24)20-8-5-4-6-9-20/h4-6,8-9,18-19,22H,3,7,10-17H2,1-2H3,(H,30,35)(H,33,34)/t22-/m0/s1
PubChem CID	45139400
ChEMBL	CHEMBL596939
IUPHAR	N/A
BindingDB	50307595
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
8532	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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