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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	AC1N2AWG
Molecular formula	C24H24N2O4S
IUPAC name	methyl 4-[3-[2-(4-acetamidophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate
Molecular weight	436.526
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.1
Synonyms	MLS000418059 MCULE-3698874590 VU0155094-4 methyl 4-[3-[2-(4-acetamidophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate ZINC8688033 CHEMBL1585091 MolPort-005-870-139 731006-86-3 methyl 4-(3-(2-((4-acetamidophenyl)thio)acetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate VU0155094-5 AKOS033931412 ML397 HMS2553G20 SMR000264819 AB00550680-02 methyl 4-(3-{2-[(4-acetamidophenyl)sulfanyl]acetyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate Z25065658 [ Show all ]
Inchi Key	BCNKQXDDMIBITO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H24N2O4S/c1-15-13-22(16(2)26(15)20-9-5-18(6-10-20)24(29)30-4)23(28)14-31-21-11-7-19(8-12-21)25-17(3)27/h5-13H,14H2,1-4H3,(H,25,27)
PubChem CID	4043841
ChEMBL	CHEMBL1585091
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
20340	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
465378	Metabotropic glutamate receptor 1	Q13255	GRM1	Homo sapiens (Human)	1194
465376	Metabotropic glutamate receptor 2	Q14416	GRM2	Homo sapiens (Human)	872
536488	Metabotropic glutamate receptor 4	Q14833	GRM4	Homo sapiens (Human)	912
465380	Metabotropic glutamate receptor 5	P41594	GRM5	Homo sapiens (Human)	1212
465377	Metabotropic glutamate receptor 6	O15303	GRM6	Homo sapiens (Human)	877
465375	Metabotropic glutamate receptor 7	Q14831	GRM7	Homo sapiens (Human)	915
465374	Metabotropic glutamate receptor 8	O00222	GRM8	Homo sapiens (Human)	908
465379	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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