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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	SMR000176548
Molecular formula	C22H15N3O3
IUPAC name	2-[1-[(E)-1-(furan-2-yl)-3-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile
Molecular weight	369.38
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.8
Synonyms	2-[1-[(E)-1-(2-furanyl)-3-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-pyridinylidene]propanedinitrile BAS 01150586 REGID_for_CID_5761997 2-[1-[(E)-2-(2-furyl)-1-p-anisoyl-vinyl]-2-pyridylidene]malononitrile CHEMBL1426792 SR-01000420160 AC1NXYTM MLS000555673 [1-[(E)-2-(2-furyl)-1-(4-methoxybenzoyl)vinyl]pyridin-2(1H)-ylidene]malononitrile 2-[1-[(E)-1-(furan-2-yl)-3-(4-methoxyphenyl)-3-oxidanylidene-prop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile BDBM54800 SCHEMBL8080389 2-{1-[2-Furan-2-yl-1-(4-methoxy-benzoyl)-vinyl]-1H-pyridin-2-ylidene}-malononitrile cid_5761997 SR-01000420160-1 AKOS000525927 MolPort-001-956-692 2-[1-[(E)-1-(furan-2-yl)-3-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile HMS2388A19 ZINC4892175 [ Show all ]
Inchi Key	JFKFQMKJUPIWAU-FYJGNVAPSA-N
Inchi ID	InChI=1S/C22H15N3O3/c1-27-18-9-7-16(8-10-18)22(26)21(13-19-5-4-12-28-19)25-11-3-2-6-20(25)17(14-23)15-24/h2-13H,1H3/b21-13+
PubChem CID	5761997
ChEMBL	CHEMBL1426792
IUPHAR	N/A
BindingDB	54800
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
149669	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
149664	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
149665	Lutropin-choriogonadotropic hormone receptor	P22888	LHCGR	Homo sapiens (Human)	699
149666	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
481391	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
149670	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
149667	Sphingosine 1-phosphate receptor 4	O95977	S1PR4	Homo sapiens (Human)	384
149668	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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