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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	CHEMBL2207640
Molecular formula	C28H36N4O
IUPAC name	1-(2-methoxyphenyl)-4-[[3-[(4-methylpiperazin-1-yl)methyl]azulen-1-yl]methyl]piperazine
Molecular weight	444.623
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.0
Synonyms	BDBM50401945
Inchi Key	PLYQWXWXIUOYQJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H36N4O/c1-29-12-14-30(15-13-29)21-23-20-24(26-9-5-3-4-8-25(23)26)22-31-16-18-32(19-17-31)27-10-6-7-11-28(27)33-2/h3-11,20H,12-19,21-22H2,1-2H3
PubChem CID	71450707
ChEMBL	CHEMBL2207640
IUPHAR	N/A
BindingDB	50401945
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	460.0 nM	PMID23099096	BindingDB,ChEMBL

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