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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	D(4) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD4
Synonym	D4 receptor D4R Dopamine D4 receptor dopamine receptor 4 d(2C) dopamine receptor
Disease	Erectile dysfunction Psychotic disorders Schizophrenia
Length	467
Amino acid sequence	MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCSFFLPCPLMLLLYWATFRGLQRWEVARRAKLHGRAPRRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGLPRGPCGPDCAPAAPGLPPDPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPRGPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITGRERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPACSVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC
UniProt	P21917
Protein Data Bank	5wiv, 5wiu
GPCR-HGmod model	P21917
3D structure model	This structure is from PDB ID 5wiv.
BioLiP	BL0394824, BL0394826, BL0394825
Therapeutic Target Database	T24983
ChEMBL	CHEMBL219
IUPHAR	217
DrugBank	BE0009376, BE0000389

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	AWKDBQYMZZKKJX-UHFFFAOYSA-N 3-{(4-(Pyrimidin-2-yl)piperazin-1-yl)methyl}-1H-pyrrolo[2,3-b]pyridine BDBM50276975 SCHEMBL5399421 3-(4-Pyrimidin-2-yl-piperazin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin
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.

Experimental Data

Parameter	Value	Reference	Database source
Ki	56.0 nM	PMID19155177	PDSP,BindingDB,ChEMBL

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