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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	CHEMBL3982215
Molecular formula	C21H25NO5
IUPAC name	(13aS)-3-methoxy-9-(2-methoxyethoxy)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
Molecular weight	371.433
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.4
Synonyms	BDBM50210754
Inchi Key	ANQRPBNHSKJQGO-KRWDZBQOSA-N
Inchi ID	InChI=1S/C21H25NO5/c1-25-7-8-27-21-16-12-22-6-5-14-10-20(26-2)19(24)11-15(14)17(22)9-13(16)3-4-18(21)23/h3-4,10-11,17,23-24H,5-9,12H2,1-2H3/t17-/m0/s1
PubChem CID	134157446
ChEMBL	CHEMBL3982215
IUPHAR	N/A
BindingDB	50210754
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	<50.0 %	PMID27688181	ChEMBL
Ki	31.0 nM	PMID27688181	BindingDB,ChEMBL

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