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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(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	CHEMBL3289642
Molecular formula	C21H22ClFN2O
IUPAC name	2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydroinden-1-one
Molecular weight	372.868
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.4
Synonyms	BDBM50017966
Inchi Key	JLUQWCZYPJKNMK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H22ClFN2O/c22-17-1-4-19(5-2-17)25-11-9-24(10-12-25)8-7-15-13-16-14-18(23)3-6-20(16)21(15)26/h1-6,14-15H,7-13H2
PubChem CID	90644058
ChEMBL	CHEMBL3289642
IUPHAR	N/A
BindingDB	50017966
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	2477.0 nM	PMID24800940	BindingDB,ChEMBL
Ki	2511.89 nM	PMID24800940	ChEMBL

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