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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	CHEMBL592940
Molecular formula	C31H39F2N5O2
IUPAC name	[3-[2-[(3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylazetidin-1-yl]-(4,4-difluorocyclohexyl)methanone
Molecular weight	551.683
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.8
Synonyms	((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone BDBM50305791
Inchi Key	AHIWFLCAIXYEJK-PLQXJYEYSA-N
Inchi ID	InChI=1S/C31H39F2N5O2/c1-21-27(22(2)35-20-34-21)29(40)37-16-24-14-36(15-25(24)17-37)13-12-30(26-6-4-3-5-7-26)18-38(19-30)28(39)23-8-10-31(32,33)11-9-23/h3-7,20,23-25H,8-19H2,1-2H3/t24-,25+
PubChem CID	46225515
ChEMBL	CHEMBL592940
IUPHAR	N/A
BindingDB	50305791
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
5592	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352

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