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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	CHEMBL2164576
Molecular formula	C28H25F3N4O2S
IUPAC name	6-(4-tert-butylphenyl)sulfonyl-7-pyridin-3-yl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
Molecular weight	538.589
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	6.2
Synonyms	BDBM50394617 KKNAGRBYEXJAHC-UHFFFAOYSA-N SCHEMBL1085813 6-[(4-tert-Butylphenyl)sulfonyl]-7-(3-pyridinyl)-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b]-[1,5]benzodiazepine
Inchi Key	KKNAGRBYEXJAHC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H25F3N4O2S/c1-27(2,3)20-10-12-21(13-11-20)38(36,37)35-17-19-9-14-24(28(29,30)31)34-26(19)33-23-8-4-7-22(25(23)35)18-6-5-15-32-16-18/h4-16H,17H2,1-3H3,(H,33,34)
PubChem CID	59618747
ChEMBL	CHEMBL2164576
IUPHAR	N/A
BindingDB	50394617
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
171283	Bombesin receptor subtype-3	O54798	Brs3	Mus musculus (Mouse)	399
171284	Bombesin receptor subtype-3	P32247	BRS3	Homo sapiens (Human)	399

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