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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	MLS000757112
Molecular formula	C12H12Cl2N2O4
IUPAC name	N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide
Molecular weight	319.138
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.4
Synonyms	NSC-285233 ZINC1865671 109018-79-3 AC1L8905 N-[2,5-dichloro-3,6-dioxo-4-(1-oxopropylamino)-1-cyclohexa-1,4-dienyl]propanamide CHEMBL1446929 NSC285233 N-(2,5-dichloro-3,6-diketo-4-propionamido-cyclohexa-1,4-dien-1-yl)propionamide 2,5-dichloro-3,6-bis-propionylamino-[1,4]benzoquinone BDBM47823 N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide cid_323616 SMR000528879 N-[2,5-bis(chloranyl)-3,6-bis(oxidanylidene)-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide [ Show all ]
Inchi Key	KKSCCSVQHNQDBX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H12Cl2N2O4/c1-3-5(17)15-9-7(13)12(20)10(8(14)11(9)19)16-6(18)4-2/h3-4H2,1-2H3,(H,15,17)(H,16,18)
PubChem CID	323616
ChEMBL	CHEMBL1446929
IUPHAR	N/A
BindingDB	47823
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
171450	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
171447	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
171448	Lutropin-choriogonadotropic hormone receptor	P22888	LHCGR	Homo sapiens (Human)	699
171449	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
484138	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
171451	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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