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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	AC1NWZI7
Molecular formula	C17H8F4N2OS
IUPAC name	(Z)-3-(2-fluorophenyl)-3-hydroxy-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile
Molecular weight	364.318
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.6
Synonyms	(2E)-3-(2-fluorophenyl)-3-oxo-2-[5-(trifluoromethyl)-3H-1,3-benzothiazol-2-ylidene]propanenitrile 3-(2-fluorophenyl)-3-oxo-2-[5-(trifluoromethyl)-3H-1,3-benzothiazol-2-ylidene]propanenitrile MLS000663548 AC1OAT1V SMR000294097 (2Z)-3-(2-fluorophenyl)-3-oxo-2-[5-(trifluoromethyl)-3H-1,3-benzothiazol-2-ylidene]propanenitrile CHEMBL1471652 MolPort-000-290-158 AKOS002797782 ZINC101018204 3-(2-fluorophenyl)-3-hydroxy-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acrylonitrile HMS2680P07 AC1NZT98 REGID_for_CID_5941733 [ Show all ]
Inchi Key	AAIFGBMIUDGWIE-PTNGSMBKSA-N
Inchi ID	InChI=1S/C17H8F4N2OS/c18-12-4-2-1-3-10(12)15(24)11(8-22)16-23-13-7-9(17(19,20)21)5-6-14(13)25-16/h1-7,24H/b15-11-
PubChem CID	2955100
ChEMBL	CHEMBL1471652
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
557312	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
557311	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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