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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	CHEMBL460644
Molecular formula	C16H18N6
IUPAC name	3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
Molecular weight	294.362
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.4
Synonyms	SCHEMBL5399421 3-(4-Pyrimidin-2-yl-piperazin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin AWKDBQYMZZKKJX-UHFFFAOYSA-N 3-{(4-(Pyrimidin-2-yl)piperazin-1-yl)methyl}-1H-pyrrolo[2,3-b]pyridine BDBM50276975
Inchi Key	AWKDBQYMZZKKJX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N6/c1-3-14-13(11-20-15(14)17-4-1)12-21-7-9-22(10-8-21)16-18-5-2-6-19-16/h1-6,11H,7-10,12H2,(H,17,20)
PubChem CID	22065962
ChEMBL	CHEMBL460644
IUPHAR	N/A
BindingDB	50276975
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
16115	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
16113	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
16114	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467

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