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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	CHEMBL114720
Molecular formula	C32H33N3O4
IUPAC name	2-[4-[(8-benzoyl-2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-3-yl)methyl]phenyl]benzoic acid
Molecular weight	523.633
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.9
Synonyms	BDBM50042264 4'-[(2-Butyl-4-oxo-8-benzoyl-1,3,8-triazaspiro[4.5]dec-1-en-3-yl)methyl]-1,1'-biphenyl-2-carboxylic acid 4''-(8-Benzoyl-2-butyl-4-oxo-1,3,8-triaza-spiro[4.5]dec-1-en-3-ylmethyl)-biphenyl-2-carboxylic acid
Inchi Key	CUECKDQXOVYNLU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H33N3O4/c1-2-3-13-28-33-32(18-20-34(21-19-32)29(36)25-9-5-4-6-10-25)31(39)35(28)22-23-14-16-24(17-15-23)26-11-7-8-12-27(26)30(37)38/h4-12,14-17H,2-3,13,18-22H2,1H3,(H,37,38)
PubChem CID	44341756
ChEMBL	CHEMBL114720
IUPHAR	N/A
BindingDB	50042264
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
50672	Type-1B angiotensin II receptor	P29089	Agtr1b	Rattus norvegicus (Rat)	359

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