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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	CHEMBL401418
Molecular formula	C37H54N6O2S
IUPAC name	1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-[5-(3,5-dimethylphenyl)-4-[2-[4-(2-hydroxy-3-piperazin-1-ylpropyl)piperazin-1-yl]ethyl]-6H-thieno[2,3-b]pyrrol-2-yl]-2-methylpropan-1-one
Molecular weight	646.939
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	4.8
Synonyms	BDBM50225081 SCHEMBL4375122 1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dimethylphenyl)-4-(2-(4-(2-hydroxy-3-(piperazin-1-yl)propyl)piperazin-1-yl)ethyl)-6H-thieno[2,3-b]pyrrol-2-yl)-2-methylpropan-1-one
Inchi Key	AGZBTOKWUUPEBM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C37H54N6O2S/c1-25-19-26(2)21-27(20-25)34-31(9-12-40-15-17-42(18-16-40)24-30(44)23-41-13-10-38-11-14-41)32-22-33(46-35(32)39-34)37(3,4)36(45)43-28-5-6-29(43)8-7-28/h19-22,28-30,38-39,44H,5-18,23-24H2,1-4H3
PubChem CID	44444649
ChEMBL	CHEMBL401418
IUPHAR	N/A
BindingDB	50225081
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
5349	Gonadotropin-releasing hormone receptor	P30969	Gnrhr	Rattus norvegicus (Rat)	327
5350	Gonadotropin-releasing hormone receptor	P30968	GNRHR	Homo sapiens (Human)	328

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