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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	CHEMBL113330
Molecular formula	C27H28F3N3O4
IUPAC name	2-[4-[[2-butyl-4-oxo-8-(2,2,2-trifluoroacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-3-yl]methyl]phenyl]benzoic acid
Molecular weight	515.533
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.4
Synonyms	4''-[2-Butyl-4-oxo-8-(2,2,2-trifluoro-acetyl)-1,3,8-triaza-spiro[4.5]dec-1-en-3-ylmethyl]-biphenyl-2-carboxylic acid BDBM50042231 4'-[[2-Butyl-4-oxo-8-(trifluoroacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-3-yl]methyl]-1,1'-biphenyl-2-carboxylic acid
Inchi Key	BBTJOYSQCCPFSK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H28F3N3O4/c1-2-3-8-22-31-26(13-15-32(16-14-26)25(37)27(28,29)30)24(36)33(22)17-18-9-11-19(12-10-18)20-6-4-5-7-21(20)23(34)35/h4-7,9-12H,2-3,8,13-17H2,1H3,(H,34,35)
PubChem CID	44341713
ChEMBL	CHEMBL113330
IUPHAR	N/A
BindingDB	50042231
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
19827	Type-1B angiotensin II receptor	P29089	Agtr1b	Rattus norvegicus (Rat)	359

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