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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	CHEMBL2043430
Molecular formula	C22H17N3O3
IUPAC name	N-[3-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Molecular weight	371.396
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.7
Synonyms	CB01103 MolPort-002-179-965 Oprea1_214137 BDBM50385637 F0882-0550 SMSF0011414 CBMicro_013089 N-(3-(1H-benzo[d]imidazol-2-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide AC1MEMLL Oprea1_723252 BIM-0012824.P001 MCULE-1832082885 ZINC5062047 333435-02-2 CCG-3777 N-[3-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide AKOS001634658 EU-0039737 SCHEMBL13679622 [ Show all ]
Inchi Key	GFIVAICXNHIFGK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H17N3O3/c26-22(15-8-9-19-20(13-15)28-11-10-27-19)23-16-5-3-4-14(12-16)21-24-17-6-1-2-7-18(17)25-21/h1-9,12-13H,10-11H2,(H,23,26)(H,24,25)
PubChem CID	2880709
ChEMBL	CHEMBL2043430
IUPHAR	N/A
BindingDB	50385637
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
95111	Smoothened homolog	P56726	Smo	Mus musculus (Mouse)	793

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