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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	CHEMBL196744
Molecular formula	C21H24Cl2FN3O
IUPAC name	N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-fluorobenzamide
Molecular weight	424.341
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.9
Synonyms	N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-4-fluorobenzamide Benzamide, N-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butyl]-4-fluoro- CTK3E3337 819883-91-5 N-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-butyl}-4-fluoro-benzamide DTXSID70658759 BDBM50172859 N-{4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butyl}-4-fluorobenzamide [ Show all ]
Inchi Key	AGUZAIMBKPZTGP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24Cl2FN3O/c22-18-4-3-5-19(20(18)23)27-14-12-26(13-15-27)11-2-1-10-25-21(28)16-6-8-17(24)9-7-16/h3-9H,1-2,10-15H2,(H,25,28)
PubChem CID	44403213
ChEMBL	CHEMBL196744
IUPHAR	N/A
BindingDB	50172859
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	0.53 nM	PMID16139501	BindingDB,ChEMBL

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