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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	SMR000001967
Molecular formula	C20H21N3O3S
IUPAC name	ethyl 2-[[4-benzyl-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate
Molecular weight	383.466
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.9
Synonyms	AC1NY8MC ethyl 2-[[4-benzyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate AKOS030475323 MLS002536289 2-[4-Benzyl-5-(2-hydroxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-propionic acid CHEMBL1506373 AC1OAKEL HMS2366K12 ASN 03019596 Oprea1_371673 2-[4-Benzyl-5-(2-hydroxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-propionic acid ethyl ester ethyl 2-[[(5Z)-4-benzyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate AKOS000719711 MLS000035844 [ Show all ]
Inchi Key	ADMQIRCNQFXFEE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21N3O3S/c1-3-26-19(25)14(2)27-20-22-21-18(16-11-7-8-12-17(16)24)23(20)13-15-9-5-4-6-10-15/h4-12,14,24H,3,13H2,1-2H3
PubChem CID	654779
ChEMBL	CHEMBL1506373
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
557369	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
557368	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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