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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	CHEMBL2037432
Molecular formula	C22H25ClN2OS
IUPAC name	1-[4-(1,3-benzothiazol-2-yl)butyl]-4-(4-chlorophenyl)piperidin-4-ol
Molecular weight	400.965
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.2
Synonyms	BDBM50384970
Inchi Key	CZOXEMUHIJZXSF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25ClN2OS/c23-18-10-8-17(9-11-18)22(26)12-15-25(16-13-22)14-4-3-7-21-24-19-5-1-2-6-20(19)27-21/h1-2,5-6,8-11,26H,3-4,7,12-16H2
PubChem CID	60167309
ChEMBL	CHEMBL2037432
IUPHAR	N/A
BindingDB	50384970
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	288.0 nM	PMID27364609	BindingDB
Ki	288.4 nM	PMID27364609	ChEMBL
Ki	291.0 nM	PMID27364609	BindingDB,ChEMBL

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