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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	CHEMBL568334
Molecular formula	C30H31N5O4S
IUPAC name	(2S,4S)-1-[6-ethyl-4-[4-(4-phenylbenzoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid
Molecular weight	557.669
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	5.0
Synonyms	(2S,4S)-1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid BDBM50302452
Inchi Key	BUKQVIJBXGVITH-DHLKQENFSA-N
Inchi ID	InChI=1S/C30H31N5O4S/c1-2-23-17-24-26(31-30(32-27(24)40-23)35-18-22(36)16-25(35)29(38)39)33-12-14-34(15-13-33)28(37)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,17,22,25,36H,2,12-16,18H2,1H3,(H,38,39)/t22-,25-/m0/s1
PubChem CID	44610759
ChEMBL	CHEMBL568334
IUPHAR	N/A
BindingDB	50302452
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
33140	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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