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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	CHEMBL3356404
Molecular formula	C24H26F3N3O5
IUPAC name	2-[(5R)-4-[2-[3-(3-methylbutanoyloxy)phenyl]acetyl]-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-5-yl]acetic acid
Molecular weight	493.483
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	3.3
Synonyms	D0A1FE BDBM50041416 compound 17c 8-(Trifluoromethyl)-2,3,4,5-tetrahydro-4-[[3-(3-methylbutyryloxy)phenyl]acetyl]-1H-pyrido[2,3-e][1,4]diazepine-5alpha-acetic acid GTPL8507 2-[(5R)-4-(2-{3-[(3-methylbutanoyl)oxy]phenyl}acetyl)-8-(trifluoromethyl)-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-5-yl]acetic acid compound 17c [PMID: 25497965] [ Show all ]
Inchi Key	CJLZUKCACMUYFP-GOSISDBHSA-N
Inchi ID	InChI=1S/C24H26F3N3O5/c1-14(2)10-22(34)35-16-5-3-4-15(11-16)12-20(31)30-9-8-28-23-17(18(30)13-21(32)33)6-7-19(29-23)24(25,26)27/h3-7,11,14,18H,8-10,12-13H2,1-2H3,(H,28,29)(H,32,33)/t18-/m1/s1
PubChem CID	91827364
ChEMBL	CHEMBL3356404
IUPHAR	8507
BindingDB	50041416
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
43479	Bombesin receptor subtype-3	P32247	BRS3	Homo sapiens (Human)	399
443400	Bombesin receptor subtype-3	O54798	Brs3	Mus musculus (Mouse)	399

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