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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	AC1OBTDF
Molecular formula	C19H15BrN4O3
IUPAC name	5-bromo-N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-1-benzofuran-2-carboxamide
Molecular weight	427.258
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.3
Synonyms	ZINC33304971 CHEMBL3192586 5-bromo-N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-1-benzofuran-2-carboxamide SMR000436137 AKOS003207594 5-Bromo-benzofuran-2-carboxylic acid [1-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-meth-(E)-ylidene]-hydrazide MLS000332847 STL302233 577984-49-7 5-bromo-N'-[(E)-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-1-benzofuran-2-carbohydrazide MolPort-002-602-020 [ Show all ]
Inchi Key	AKVYGNSBGGRHHG-UFFVCSGVSA-N
Inchi ID	InChI=1S/C19H15BrN4O3/c1-23-14-5-3-11(7-15(14)24(2)19(23)26)10-21-22-18(25)17-9-12-8-13(20)4-6-16(12)27-17/h3-10H,1-2H3,(H,22,25)/b21-10+
PubChem CID	6886091
ChEMBL	CHEMBL3192586
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
7943	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
7942	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757

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