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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	AC1OBEWP
Molecular formula	C19H17N3O3
IUPAC name	(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
Molecular weight	335.363
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.8
Synonyms	CHEMBL1453136 (2Z)-3-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2-(3-methyl-1H-benzimidazol-2-ylidene)propanenitrile SMR000372486 HMS2703B03 3-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2-(3-methyl-1H-benzimidazol-2-ylidene)propanenitrile MLS000774728 AC1O6UE9 [ Show all ]
Inchi Key	GSKKCIIGPUKZSB-MDWZMJQESA-N
Inchi ID	InChI=1S/C19H17N3O3/c1-22-15-7-5-4-6-14(15)21-19(22)13(11-20)8-12-9-16(24-2)18(23)17(10-12)25-3/h4-10,23H,1-3H3/b13-8+
PubChem CID	135519912
ChEMBL	CHEMBL1453136
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
560537	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
560536	Thyrotropin-releasing hormone receptor	P34981	TRHR	Homo sapiens (Human)	398

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