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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	SCHEMBL6012808
Molecular formula	C23H35N3O2
IUPAC name	9-benzyl-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
Molecular weight	385.552
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.7
Synonyms	BDBM50190522 (RS)-9-benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride CHEMBL1196504 1,4,9-Triazaspiro[5.5]undecane-2,5-dione, 1-butyl-3-(2-methylpropyl)-9-(phenylmethyl)- 9-benzyl-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]-undeca-2,5-dione hydrochloride rac-9-Benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride 3-benzyl-11-butyl-9-isobutyl-3,8,11-triazaspiro[5.5]undecane-7,10-dione [ Show all ]
Inchi Key	APZAJCZLYILDDW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H35N3O2/c1-4-5-13-26-21(27)20(16-18(2)3)24-22(28)23(26)11-14-25(15-12-23)17-19-9-7-6-8-10-19/h6-10,18,20H,4-5,11-17H2,1-3H3,(H,24,28)
PubChem CID	10159218
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50190522
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
11470	C-C chemokine receptor type 2	P41597	CCR2	Homo sapiens (Human)	374
11469	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352
11468	C-X-C chemokine receptor type 4	P61073	CXCR4	Homo sapiens (Human)	352

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