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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	CHEMBL3356402
Molecular formula	C19H18F3N3O4
IUPAC name	2-[(5R)-4-[2-(3-hydroxyphenyl)acetyl]-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-5-yl]acetic acid
Molecular weight	409.365
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	1.9
Synonyms	BDBM50041414 8-(Trifluoromethyl)-2,3,4,5-tetrahydro-4-[(3-hydroxyphenyl)acetyl]-1H-pyrido[2,3-e][1,4]diazepine-5alpha-acetic acid
Inchi Key	IZFUPPZOBLFMFM-CQSZACIVSA-N
Inchi ID	InChI=1S/C19H18F3N3O4/c20-19(21,22)15-5-4-13-14(10-17(28)29)25(7-6-23-18(13)24-15)16(27)9-11-2-1-3-12(26)8-11/h1-5,8,14,26H,6-7,9-10H2,(H,23,24)(H,28,29)/t14-/m1/s1
PubChem CID	118721521
ChEMBL	CHEMBL3356402
IUPHAR	N/A
BindingDB	50041414
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
447428	Bombesin receptor subtype-3	O54798	Brs3	Mus musculus (Mouse)	399
447429	Bombesin receptor subtype-3	P32247	BRS3	Homo sapiens (Human)	399

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