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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	CHEMBL72949
Molecular formula	C34H46FN7O4S
IUPAC name	2-[2-[(4-fluorophenyl)methylsulfanyl]-5-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxopyrimidin-5-yl]methyl]-4-oxopyrimidin-1-yl]-N-methyl-N-octylacetamide
Molecular weight	667.845
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.8
Synonyms	N-Octyl-N-methyl-2-(4-fluorobenzylthio)-4-oxo-5-[1-[2-oxo-2-(4-methylpiperazino)ethyl]-2-oxo-1,2-dihydropyrimidine-5-ylmethyl]-1,4-dihydropyrimidine-1-acetamide
Inchi Key	CRBYNKYIKPZMAP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H46FN7O4S/c1-4-5-6-7-8-9-14-39(3)30(43)23-42-22-28(32(45)37-34(42)47-25-26-10-12-29(35)13-11-26)19-27-20-36-33(46)41(21-27)24-31(44)40-17-15-38(2)16-18-40/h10-13,20-22H,4-9,14-19,23-25H2,1-3H3
PubChem CID	44374849
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50097697
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
517559	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
517557	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
517558	Kappa-type opioid receptor	P34975	Oprk1	Rattus norvegicus (Rat)	380
517560	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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