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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	CHEMBL71865
Molecular formula	C21H23Cl2N3O
IUPAC name	N-[(Z)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]benzamide
Molecular weight	404.335
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.4
Synonyms	BDBM50129430 N-{(Z)-4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-benzamide
Inchi Key	DHOCETPWLQILEE-PLNGDYQASA-N
Inchi ID	InChI=1S/C21H23Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-10H,11-16H2,(H,24,27)/b5-4-
PubChem CID	9887463
ChEMBL	CHEMBL71865
IUPHAR	N/A
BindingDB	50129430
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	<10000.0 nM	PMID12798330	BindingDB,ChEMBL
IC50	6.0 nM	PMID12798330, PMID15916415	BindingDB,ChEMBL
Ki	0.4 nM	PMID15916415	ChEMBL
Ki	2.64 nM	PMID15916415	ChEMBL

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