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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	CHEMBL568123
Molecular formula	C31H40N4O3S
IUPAC name	2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(thiophen-2-ylmethylamino)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one
Molecular weight	548.746
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.2
Synonyms	BDBM50302260 SCHEMBL2353451 (R)-2-(1-(3,4-dimethoxyphenyl)-4-(thiophen-2-ylmethylamino)butyl)-4-(4-ethylpiperazin-1-yl)isoindolin-1-one
Inchi Key	NMPBLSGROAKOMM-HHHXNRCGSA-N
Inchi ID	InChI=1S/C31H40N4O3S/c1-4-33-15-17-34(18-16-33)28-10-5-9-25-26(28)22-35(31(25)36)27(11-6-14-32-21-24-8-7-19-39-24)23-12-13-29(37-2)30(20-23)38-3/h5,7-10,12-13,19-20,27,32H,4,6,11,14-18,21-22H2,1-3H3/t27-/m1/s1
PubChem CID	25125764
ChEMBL	CHEMBL568123
IUPHAR	N/A
BindingDB	50302260
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
227113	Urotensin-2 receptor	Q9UKP6	UTS2R	Homo sapiens (Human)	389
227114	Urotensin-2 receptor	P49684	Uts2r	Rattus norvegicus (Rat)	386

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