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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	CHEMBL499729
Molecular formula	C32H51N5O4
IUPAC name	oxan-4-yl 5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
Molecular weight	569.791
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.5
Synonyms	tetrahydro-2H-pyran-4-yl 1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate tetrahydropyran-4-yl 11-butyl-3-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methyl-4-piperidyl]-3,9-diazaspiro[5.5]undecane-9-carboxylate BDBM50254673 SCHEMBL3962689
Inchi Key	ABQNGYAYTGTYRC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H51N5O4/c1-5-6-7-26-22-36(30(39)41-27-8-20-40-21-9-27)17-12-32(26)13-18-37(19-14-32)31(4)10-15-35(16-11-31)29(38)28-24(2)33-23-34-25(28)3/h23,26-27H,5-22H2,1-4H3
PubChem CID	25230896
ChEMBL	CHEMBL499729
IUPHAR	N/A
BindingDB	50254673
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
1079	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352

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