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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	MLS000850078
Molecular formula	C20H21NO5S
IUPAC name	(E)-4-[[5-(4-tert-butylphenyl)-2-methoxycarbonylthiophen-3-yl]amino]-4-oxobut-2-enoic acid
Molecular weight	387.45
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.6
Synonyms	BDBM71248 (E)-4-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-4-oxo-2-butenoic acid cid_5714545 (E)-4-{[5-[4-(tert-butyl)phenyl]-2-(methoxycarbonyl)-3-thienyl]amino}-4-oxo-2-butenoic acid SMR000456096 (E)-4-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-thiophen-3-yl]amino]-4-oxidanylidene-but-2-enoic acid AC1NWWWT ZINC1029737 (E)-4-[[5-(4-tert-butylphenyl)-2-carbomethoxy-3-thienyl]amino]-4-keto-but-2-enoic acid CHEMBL1464042 (E)-4-[[5-(4-tert-butylphenyl)-2-methoxycarbonylthiophen-3-yl]amino]-4-oxobut-2-enoic acid MolPort-001-806-768 [ Show all ]
Inchi Key	BRPXCJFJZAPABY-MDZDMXLPSA-N
Inchi ID	InChI=1S/C20H21NO5S/c1-20(2,3)13-7-5-12(6-8-13)15-11-14(18(27-15)19(25)26-4)21-16(22)9-10-17(23)24/h5-11H,1-4H3,(H,21,22)(H,23,24)/b10-9+
PubChem CID	5714545
ChEMBL	CHEMBL1464042
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
31238	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
31240	Lutropin-choriogonadotropic hormone receptor	P22888	LHCGR	Homo sapiens (Human)	699
31239	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
31241	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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