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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	SMR000079324
Molecular formula	C18H18N4O4S2
IUPAC name	ethyl 4,5-dimethyl-2-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
Molecular weight	418.486
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.6
Synonyms	ethyl 4,5-dimethyl-2-[({[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]-3-thiophenecarboxylate MolPort-001-598-845 AKOS003336900 ethyl 4,5-dimethyl-2-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate SR-01000287295-1 CHEMBL1568463 MLS000051284 ZINC2868886 ethyl 4,5-dimethyl-2-[({[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate AP-853/42935665 HMS2278I07 ST51050419 ethyl 4,5-dimethyl-2-[({[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]-3-thiophenecarboxylate MLS001074283 AC1M3ZL3 ethyl 4,5-dimethyl-2-[2-(5-(3-pyridyl)(1,3,4-oxadiazol-2-ylthio))acetylamino]t hiophene-3-carboxylate SR-01000287295 MCULE-6068003343 STK226334 [ Show all ]
Inchi Key	AFMHQXUVDMAVHG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18N4O4S2/c1-4-25-17(24)14-10(2)11(3)28-16(14)20-13(23)9-27-18-22-21-15(26-18)12-6-5-7-19-8-12/h5-8H,4,9H2,1-3H3,(H,20,23)
PubChem CID	2222016
ChEMBL	CHEMBL1568463
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
4277	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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