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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	CHEMBL521687
Molecular formula	C25H35N3O4S2
IUPAC name	[4-[[6-[4-(2-methylsulfanylphenyl)piperazin-1-yl]hexanoylamino]methyl]phenyl] methanesulfonate
Molecular weight	505.692
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.7
Synonyms	N-(4-Methanesulfonyloxyphenylmethyl)-4-(2-methylthiophenyl)-1-piperazinehexanamide BDBM50253284
Inchi Key	DINBMKNNYLFNIR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H35N3O4S2/c1-33-24-9-6-5-8-23(24)28-18-16-27(17-19-28)15-7-3-4-10-25(29)26-20-21-11-13-22(14-12-21)32-34(2,30)31/h5-6,8-9,11-14H,3-4,7,10,15-20H2,1-2H3,(H,26,29)
PubChem CID	25107581
ChEMBL	CHEMBL521687
IUPHAR	N/A
BindingDB	50253284
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
60895	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
60896	5-hydroxytryptamine receptor 7	P32305	Htr7	Rattus norvegicus (Rat)	448
60894	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443

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