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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	MLS000027919
Molecular formula	C24H22N4O3S
IUPAC name	1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-(furan-2-ylmethyl)-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Molecular weight	446.525
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.3
Synonyms	4-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one REGID_for_CID_5770693 AB00399269-09 HMS2406C09 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-[4-furan-2-ylmethyl-5-(4-hydroxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone ASN 03793653 MLS000889560 4-[3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-4-(2-furfuryl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CHEMBL1604213 SMR000002551 AC1NY8V1 MCULE-5801567274 4-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one BDBM43928 Oprea1_781585 4-[3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4-(2-furanylmethyl)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone cid_5770693 ZINC12467972 AKOS000717142 [ Show all ]
Inchi Key	ACGDOENMVGVLMG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H22N4O3S/c29-20-9-7-18(8-10-20)23-25-26-24(28(23)15-21-6-3-13-31-21)32-16-22(30)27-12-11-17-4-1-2-5-19(17)14-27/h1-10,13,29H,11-12,14-16H2
PubChem CID	655112
ChEMBL	CHEMBL1604213
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
557344	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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