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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.
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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	MLS001150220
Molecular formula	C16H18N4O3
IUPAC name	6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-benzodioxol-5-ol
Molecular weight	314.345
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.4
Synonyms	AC1OMVCG ZINC21741648 6-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,3-benzodioxol-5-ol HMS2974E13 AKOS001167470 MolPort-003-280-863 CHEMBL1392809 6-[[4-(2-pyrimidyl)piperazino]methyl]sesamol MCULE-9037547191 BDBM66927 SMR000688762 6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-benzodioxol-5-ol cid_7480032 [ Show all ]
Inchi Key	ARCOXMPSRJYGRO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N4O3/c21-13-9-15-14(22-11-23-15)8-12(13)10-19-4-6-20(7-5-19)16-17-2-1-3-18-16/h1-3,8-9,21H,4-7,10-11H2
PubChem CID	7480032
ChEMBL	CHEMBL1392809
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	1122.0 nM	PubChem BioAssay data set	ChEMBL

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