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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.
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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	CHEMBL250552
Molecular formula	C25H35N3O
IUPAC name	6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
Molecular weight	393.575
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.8
Synonyms	(+)-6-[(2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol 6-[(2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol (-)-6-[(2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol BDBM50229775
Inchi Key	ACDYFMOSSUKHJD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3
PubChem CID	24742011
ChEMBL	CHEMBL250552
IUPHAR	N/A
BindingDB	50229775
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.12 nM	PMID18072730	BindingDB,ChEMBL
Emax	78.5 %	PMID18072730	ChEMBL
Ki	0.8 nM	PMID18072730	BindingDB,ChEMBL
Ki	0.82 nM	PMID18072730	BindingDB,ChEMBL
Ki	18.4 nM	PMID18072730	BindingDB,ChEMBL

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