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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	D(3) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD3
Synonym	dopaminergic receptor D3 D3R D3 receptor dopamine D3 receptor
Disease	Unspecified Emesis; Gastric motility disorder Female sexual dysfunction Male sexual disorders Psychotic disorders Cocaine addiction Schizophrenia Drug abuse [ Show all ]
Length	400
Amino acid sequence	MASLSQLSSHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKRILTRQNSQCNSVRPGFPQQTLSPDPAHLELKRYYSICQDTALGGPGFQERGGELKREEKTRNSLSPTIAPKLSLEVRKLSNGRLSTSLKLGPLQPRGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC
UniProt	P35462
Protein Data Bank	3pbl
GPCR-HGmod model	P35462
3D structure model	This structure is from PDB ID 3pbl.
BioLiP	BL0191566, BL0191567
Therapeutic Target Database	T02551
ChEMBL	CHEMBL234
IUPHAR	216
DrugBank	BE0000581

Ligand

Name	CHEMBL241212
Molecular formula	C24H29N3O2
IUPAC name	4-ethynyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
Molecular weight	391.515
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.8
Synonyms	BDBM50221670 N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}-4-ethynylbenzamide
Inchi Key	CQLNLMLQKSNCPW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H29N3O2/c1-3-20-10-12-21(13-11-20)24(28)25-14-6-7-15-26-16-18-27(19-17-26)22-8-4-5-9-23(22)29-2/h1,4-5,8-13H,6-7,14-19H2,2H3,(H,25,28)
PubChem CID	44436600
ChEMBL	CHEMBL241212
IUPHAR	N/A
BindingDB	50221670
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	90.0 %	PMID17827018	ChEMBL
EC50	2.1 nM	PMID17827018	BindingDB,ChEMBL
Intrinsic activity	57.0 %	PMID17827018	ChEMBL
Ki	1.0 nM	PMID17827018	BindingDB,ChEMBL

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