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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	CHEMBL597980
Molecular formula	C27H35N5O7
IUPAC name	(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-[2-hydroxyethyl(methyl)amino]-6-phenylpyridine-2-carbonyl]amino]-5-oxopentanoic acid
Molecular weight	541.605
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	1.0
Synonyms	(4S)5-[4-(Ethoxycarbonyl)iperazin-1-yl]-4-[({4-[(2-hydroxyethyl)methyl)amino]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxopentanoic Acid BDBM50307597
Inchi Key	AMFNYBSTPDJKKA-NRFANRHFSA-N
Inchi ID	InChI=1S/C27H35N5O7/c1-3-39-27(38)32-13-11-31(12-14-32)26(37)21(9-10-24(34)35)29-25(36)23-18-20(30(2)15-16-33)17-22(28-23)19-7-5-4-6-8-19/h4-8,17-18,21,33H,3,9-16H2,1-2H3,(H,29,36)(H,34,35)/t21-/m0/s1
PubChem CID	46233451
ChEMBL	CHEMBL597980
IUPHAR	N/A
BindingDB	50307597
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
8838	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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