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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	2-amino-4-[(4-bromobenzyl)sulfanyl]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Molecular formula	C19H19BrN4S
IUPAC name	2-amino-4-[(4-bromophenyl)methylsulfanyl]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Molecular weight	415.353
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.4
Synonyms	8-amino-10-[(4-bromophenyl)methylsulfanyl]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile MCULE-2080940019 SMR000114666 AKOS003677738 CHEMBL1349570 AC1LO70Z MLS000594415 ZINC4396724 CHEBI:109842 HMS2388C12 AK-777/37037008 MolPort-000-934-099 [ Show all ]
Inchi Key	AHWXPMSTZOIWOT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H19BrN4S/c20-14-6-4-13(5-7-14)12-25-18-16(11-22)19(8-2-1-3-9-19)15(10-21)17(23)24-18/h4-7,24H,1-3,8-9,12,23H2
PubChem CID	1215650
ChEMBL	CHEMBL1349570
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
5948	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
463599	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
5947	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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