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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	CHEMBL3701901
Molecular formula	C17H17BrF3N3
IUPAC name	N-[1-(5-bromopyridin-2-yl)-2,2,2-trifluoroethyl]-4-pyrrolidin-3-ylaniline
Molecular weight	400.243
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.0
Synonyms	SCHEMBL12609567 US8802673, 2 BDBM129360 HWEROTVBSIYPHR-UHFFFAOYSA-N [(RS)-1-(5-bromo-pyridin-2-yl)-2,2,2-trifluoro-ethyl]-((RS)-4-pyrrolidin-3-yl-phenyl)-amine
Inchi Key	HWEROTVBSIYPHR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H17BrF3N3/c18-13-3-6-15(23-10-13)16(17(19,20)21)24-14-4-1-11(2-5-14)12-7-8-22-9-12/h1-6,10,12,16,22,24H,7-9H2
PubChem CID	68325405
ChEMBL	CHEMBL3701901
IUPHAR	N/A
BindingDB	129360
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
125496	Trace amine-associated receptor 1	Q923Y8	Taar1	Mus musculus (Mouse)	332
125497	Trace amine-associated receptor 7b	Q923X8	Taar7b	Rattus norvegicus (Rat)	358

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