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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	JTTPGMRULUVVEK-UHFFFAOYSA-N
Molecular formula	C13H20N2O3
IUPAC name	4-[methyl(4-pyrrolidin-1-ylbut-2-ynyl)amino]-4-oxobutanoic acid
Molecular weight	252.314
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	-2.5
Synonyms	CHEMBL162477 3-Carboxypropionamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]- N-Methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]succinamidic acid AC1LB45O 4-(Methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoic acid # SCHEMBL9452418 N-Methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-3-carboxypropanamide 4-[methyl(4-pyrrolidin-1-ylbut-2-ynyl)amino]-4-oxobutanoic acid ZINC27856729 [ Show all ]
Inchi Key	JTTPGMRULUVVEK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H20N2O3/c1-14(12(16)6-7-13(17)18)8-2-3-9-15-10-4-5-11-15/h4-11H2,1H3,(H,17,18)
PubChem CID	551031
ChEMBL	CHEMBL162477
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
159779	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590
159780	Muscarinic acetylcholine receptor M4	P08485	Chrm4	Rattus norvegicus (Rat)	478

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