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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	AC1N9R7M
Molecular formula	C22H31N5O3S
IUPAC name	N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
Molecular weight	445.582
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.3
Synonyms	MCULE-5602582059 Z30996409 N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide CHEMBL1458139 SR-01000723474 MLS001002420 ZINC12528995 746618-44-0 N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide AKOS034149618 HMS2696K10 SR-01000723474-2 MolPort-004-271-369 AB00591232-02 SMR000368953 [ Show all ]
Inchi Key	FZHCFMLCAKHYAE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H31N5O3S/c1-4-27(5-2)31(29,30)20-16-19(10-9-18(20)3)24-22(28)17-25-12-14-26(15-13-25)21-8-6-7-11-23-21/h6-11,16H,4-5,12-15,17H2,1-3H3,(H,24,28)
PubChem CID	4365190
ChEMBL	CHEMBL1458139
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
90912	5-hydroxytryptamine receptor 2A	P35363	Htr2a	Mus musculus (Mouse)	471
90913	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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