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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	2-{3-[4-(2,4-dichlorobenzyl)piperazin-1-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione
Molecular formula	C22H21Cl2N3O3
IUPAC name	2-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
Molecular weight	446.328
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.9
Synonyms	421572-96-5 HMS612J22 SR-01000481093-1 MLS002540723 2-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione ChemDivAM_000415 SMR000107203 AC1LQAKK MCULE-8479712835 STL337711 CHEMBL389516 MolPort-000-791-975 HMS2398B15 SR-01000481093 AKOS001652708 MLS000111277 ZINC19866601 ChemDiv1_009020 Oprea1_560626 [ Show all ]
Inchi Key	ADWVFVWRGKYLDS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21Cl2N3O3/c23-16-6-5-15(19(24)13-16)14-25-9-11-26(12-10-25)20(28)7-8-27-21(29)17-3-1-2-4-18(17)22(27)30/h1-6,13H,7-12,14H2
PubChem CID	1346216
ChEMBL	CHEMBL389516
IUPHAR	N/A
BindingDB	N/A
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
3188	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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