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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	2,4-Dinitro-benzoic acid 3-(morpholine-4-carbothioyl)-phenyl ester
Molecular formula	C18H15N3O7S
IUPAC name	[3-(morpholine-4-carbothioyl)phenyl] 2,4-dinitrobenzoate
Molecular weight	417.392
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	2.7
Synonyms	STL382848 HMS2924N07 AC1MJHYK MolPort-001-939-994 SR-01000317620 ZINC13590265 MCULE-1305104915 AKOS000592332 Oprea1_382067 SR-01000317620-1 CHEMBL1548455 [3-(morpholine-4-carbothioyl)phenyl] 2,4-dinitrobenzoate 3-(morpholin-4-ylcarbonothioyl)phenyl 2,4-dinitrobenzoate MLS001222346 SMR000607969 BAS 00607867 [ Show all ]
Inchi Key	AMIVWHGPYKDMKY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H15N3O7S/c22-18(15-5-4-13(20(23)24)11-16(15)21(25)26)28-14-3-1-2-12(10-14)17(29)19-6-8-27-9-7-19/h1-5,10-11H,6-9H2
PubChem CID	3112747
ChEMBL	CHEMBL1548455
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
8929	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
463967	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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