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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	CHEMBL435587
Molecular formula	C21H28BrN3O4
IUPAC name	5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3-bromobenzoyl)amino]-5-oxopentanoic acid
Molecular weight	466.376
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	1.6
Synonyms	4-(8-Aza-spiro[4.5]dec-8-ylcarbamoyl)-4-(3-bromo-benzoylamino)-butyric acid BDBM50008174
Inchi Key	BJIUFUQTJYXZAR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H28BrN3O4/c22-16-5-3-4-15(14-16)19(28)23-17(6-7-18(26)27)20(29)24-25-12-10-21(11-13-25)8-1-2-9-21/h3-5,14,17H,1-2,6-13H2,(H,23,28)(H,24,29)(H,26,27)
PubChem CID	44349325
ChEMBL	CHEMBL435587
IUPHAR	N/A
BindingDB	50008174
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
25169	Cholecystokinin receptor type A	P30551	Cckar	Rattus norvegicus (Rat)	444
25168	Gastrin/cholecystokinin type B receptor	P30553	Cckbr	Rattus norvegicus (Rat)	452

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