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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	CHEMBL567840
Molecular formula	C31H43N7O6
IUPAC name	(4S)-4-[[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight	609.728
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	0.3
Synonyms	BDBM50302647 (S)-4-(4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-2-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
Inchi Key	AXDLCTBYPALFAX-DEOSSOPVSA-N
Inchi ID	InChI=1S/C31H43N7O6/c1-3-4-8-21-44-31(43)38-19-17-37(18-20-38)30(42)24(11-12-27(39)40)33-29(41)28-32-25(23-9-6-5-7-10-23)22-26(34-28)36-15-13-35(2)14-16-36/h5-7,9-10,22,24H,3-4,8,11-21H2,1-2H3,(H,33,41)(H,39,40)/t24-/m0/s1
PubChem CID	45485897
ChEMBL	CHEMBL567840
IUPHAR	N/A
BindingDB	50302647
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
16578	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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